4-[(tert-butoxy)carbonyl]-3-fluorobenzoic acid
Structure Info
- Chemspace ID
- CSSB00020640535 (In-Stock Building Blocks)
- CAS
- 1448004-22-5
- MFCD
- MFCD30188712, MFCD30188712
- IUPAC Name
- 4-[(tert-butoxy)carbonyl]-3-fluorobenzoic acid
- Mol formula
- C12H13FO4
- Mol weight
- 240 Da
- Catalog Number(s)
- A019099743, A229145, A923807, AG01BS01, AG314126, AKOS030624064, AR01BSP1, AW28921, ArZ-UP202952, BB4LS-EN300-345304, BBLS00020640535, BBV-108670139, BD752103, CS-0542444, CSC020640535, EN300-345304, LN04608475, ST01BTGT, TX01BT5P, U131839, Y3159888, YHC00422, ZX-NM246227, ZXC295774, bbls00020640535
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.83
- Heavy atoms count
- 17
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 64
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
![Chemical structure of 4-[(tert-butoxy)carbonyl]-3-fluorobenzoic acid (C12H13FO4) - CSSB00020640535](/st/structure/200/a788e0cccb15fbd4846ea7f22ecf445f/CC%2528C%2529%2528C%2529OC%2528%253DO%2529C1%253DCC%253DC%2528C%253DC1F%2529C%2528O%2529%253DO.png "C12H13FO4")
- Zoom the structure
- CSSB00020640535
Items Overall 34 items from 6 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BB4LS US | 2 days | United States To: | 95 | 50 umol | 54.13 | |
| BB4LS US | 2 days | United States To: | 95 | 100 umol | 74.77 | |
| BB4LS US | 2 days | United States To: | 95 | 200 umol | 100.81 | |
| BB4LS US | 2 days | United States To: | 95 | 300 umol | 130.00 | |
| BB4LS US | 2 days | United States To: | 95 | 500 umol | 163.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 50 mg | 102.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 100 mg | 151.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 250 mg | 215.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 500 mg | 340.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 1 g | 436.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 2.5 g | 666.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 5 g | 1,050.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 50 umol | 54.13 | |
| BB4LS EU | 7 days | Germany To: | 95 | 100 umol | 74.77 | |
| BB4LS EU | 7 days | Germany To: | 95 | 200 umol | 100.81 | |
| BB4LS EU | 7 days | Germany To: | 95 | 300 umol | 130.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 500 umol | 163.00 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 50 mg | 171.60 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 100 mg | 227.70 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 250 mg | 302.50 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 500 mg | 446.60 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 1 g | 557.70 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 2.5 g | 825.00 | |
Description: 4-[(tert-butoxy)carbonyl]-3-fluorobenzoic acid; CAS: 1448004-22-5 | ||||||
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 102.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 151.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 215.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 340.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 436.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 666.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 1,050.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 1,818.00 | |
| Advanced ChemBlocks CN | 20 days | China To: | 95 | 250 mg | 165.00 | |
| Advanced ChemBlocks CN | 20 days | China To: | 95 | 1 g | 425.00 | |
| Advanced ChemBlocks CN | 20 days | China To: | 95 | 5 g | 1,255.00 | |
Description: 4-(tert-butoxycarbonyl)-3-fluorobenzoic acid; CAS: 1448004-22-5 | ||||||
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Substructure Analogs
![Chemical structure of lithium(1+) 4-[(tert-butoxy)carbonyl]-3-fluorobenzoate - CSSB00137314855](/st/structure/200/7871161d1f911da989662a00c76f4f4d/%255BLi%252B%255D.CC%2528C%2529%2528C%2529OC%2528%253DO%2529C1%253DCC%253DC%2528C%253DC1F%2529C%2528%255BO-%255D%2529%253DO.png)
![Chemical structure of 4-[(tert-butoxy)carbonyl]-3,5-difluorobenzoic acid - CSSB03568225719](/st/structure/200/4efd0033de4be983fec13a459f266f15/CC%2528C%2529%2528C%2529OC%2528%253DO%2529c1c%2528F%2529cc%2528cc1F%2529C%2528%253DO%2529O.png)
![Chemical structure of 4-[(tert-butoxy)carbonyl]-2,5-difluorobenzoic acid - CSSB03568225721](/st/structure/200/92598f4d9915b9338a2104089590c250/CC%2528C%2529%2528C%2529OC%2528%253DO%2529c1cc%2528F%2529c%2528cc1F%2529C%2528%253DO%2529O.png)
![Chemical structure of 4-[(tert-butoxy)carbonyl]-2,3-difluorobenzoic acid - CSSB03578825467](/st/structure/200/c3c7920620bf08326d606ad55f31c12d/CC%2528C%2529%2528C%2529OC%2528%253DO%2529c1ccc%2528C%2528%253DO%2529O%2529c%2528F%2529c1F.png)
Similarity Analogs
![Chemical structure of 3-[(tert-butoxy)carbonyl]-4-fluorobenzoic acid - CSSB00102879870](/st/structure/200/d9184e01db4e4240318de2143e6f1e6d/CC%2528C%2529%2528C%2529OC%2528%253DO%2529C1%253DCC%2528%253DCC%253DC1F%2529C%2528O%2529%253DO.png)
![Chemical structure of 5-[(tert-butoxy)carbonyl]-2,4-difluorobenzoic acid - CSSB03578825465](/st/structure/200/1ce25a14ed55c08671365d4f9377e9a1/CC%2528C%2529%2528C%2529OC%2528%253DO%2529c1cc%2528C%2528%253DO%2529O%2529c%2528F%2529cc1F.png)
![Chemical structure of 5-[(tert-butoxy)carbonyl]-2-fluorobenzoic acid - CSSB00102834241](/st/structure/200/9a2a64a539031b9aec1cb236eb8f8d64/CC%2528C%2529%2528C%2529OC%2528%253DO%2529C1%253DCC%253DC%2528F%2529C%2528%253DC1%2529C%2528O%2529%253DO.png)
![Chemical structure of 4-{[(tert-butoxy)carbonyl]amino}-3,5-difluorobenzoic acid - CSSB00116210506](/st/structure/200/946c91c480e0cf4b45413f662ad3e6a8/CC%2528C%2529%2528C%2529OC%2528%253DO%2529NC1%253DC%2528F%2529C%253DC%2528C%253DC1F%2529C%2528O%2529%253DO.png)
