4-acetyl-9-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxylic acid
Structure Info
- Chemspace ID
- CSSB02007773766 (In-Stock Building Blocks)
- CAS
- 2680778-04-3
- MFCD
- MFCD36872101
- IUPAC Name
- 4-acetyl-9-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxylic acid
- Mol formula
- C12H12BrNO4
- Mol weight
- 314 Da
- Catalog Number(s)
- AG02BK7Z, BBLS02007773766, CSCR00024349076, EN300-28292726, TX02BLDN, Z3174009436, bbls02007773766, s_188690_13911778_3007096, s_188690____13911778____3007096
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.24
- Heavy atoms count
- 18
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 67
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSB02007773766
Items Overall 8 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 935.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 979.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 1,024.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 1,068.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 1,113.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 2,185.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 3,231.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 4,791.00 |
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Substructure Analogs
Similarity Analogs
![Chemical structure of 9-bromo-4-[(tert-butoxy)carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxylic acid - CSSB00102861613](/st/structure/200/3b6e0189511dd126e6eb25ef721462cc/CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1CCOC2%253DC%2528Br%2529C%253DC%2528C%253DC2C1%2529C%2528O%2529%253DO.png)
![Chemical structure of 9-bromo-4-[(prop-2-en-1-yloxy)carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxylic acid - CSSB06446547058](/st/structure/200/caca1e9559407ff24c8f1ebe092f5d1f/OC%2528%253DO%2529c1cc%2528Br%2529c2OCCN%2528Cc2c1%2529C%2528%253DO%2529OCC%253DC.png)
![Chemical structure of 4-[(benzyloxy)carbonyl]-9-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxylic acid - CSSB00135091159](/st/structure/200/2372b84d65fcdb8070c5e95287f1a933/OC%2528%253DO%2529C1%253DCC%2528Br%2529%253DC2OCCN%2528CC2%253DC1%2529C%2528%253DO%2529OCC1%253DCC%253DCC%253DC1.png)
