Methyl 3-[3-(trifluoromethyl)phenyl]prop-2-ynoate
Structure Info
- Chemspace ID
- CSSB00012100152 (In-Stock Building Blocks)
- CAS
- 445491-46-3
- MFCD
- MFCD20347237, MFCD20347237
- IUPAC Name
- methyl 3-[3-(trifluoromethyl)phenyl]prop-2-ynoate
- Mol formula
- C11H7F3O2
- Mol weight
- 228 Da
- Catalog Number(s)
- A667117, BBV-38850430, CSC012100152, EN300-10479652, FCH15268802, PC1034265
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.41
- Heavy atoms count
- 16
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.181
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
![Chemical structure of Methyl 3-[3-(trifluoromethyl)phenyl]prop-2-ynoate (C11H7F3O2) - CSSB00012100152](/st/structure/200/351c3e98cf412dd536d5372cce6037a1/COC%2528%253DO%2529C%2523CC1%253DCC%253DCC%2528%253DC1%2529C%2528F%2529%2528F%2529F.png "C11H7F3O2")
- Zoom the structure
- CSSB00012100152
Items Overall 3 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| AOBChem CN | 12 days | China To: | 95 | 250 mg | 603.90 | |
| AOBChem CN | 12 days | China To: | 95 | 500 mg | 686.40 | |
| AOBChem CN | 12 days | China To: | 95 | 1 g | 914.10 | |
Description: Methyl 3-[3-(trifluoromethyl)phenyl]-2-propynoate; CAS: 445491-46-3 | ||||||
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Substructure Analogs
![Chemical structure of ethyl 3-[3-(trifluoromethyl)phenyl]prop-2-ynoate - CSSB00006008443](/st/structure/200/e8cb1fc0c9bce1cbbd4bf1bed53b1d27/CCOC%2528%253DO%2529C%2523CC1%253DCC%253DCC%2528%253DC1%2529C%2528F%2529%2528F%2529F.png)
Similarity Analogs
![Chemical structure of methyl 3-[4-(trifluoromethyl)phenyl]prop-2-ynoate - CSSB00012100190](/st/structure/200/8fcffe2074a5568b8215cace2cf26115/COC%2528%253DO%2529C%2523CC1%253DCC%253DC%2528C%253DC1%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 4-[3-(trifluoromethyl)phenyl]but-3-yn-2-one - CSSB00011003255](/st/structure/200/6aad6454e38eae8928b2546e4c66df92/CC%2528%253DO%2529C%2523CC1%253DCC%253DCC%2528%253DC1%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 3-[3-(trifluoromethyl)phenyl]prop-2-ynoic acid - CSSB00011892750](/st/structure/200/c42412f1c878bcfe503eefb789b3e4f4/OC%2528%253DO%2529C%2523CC1%253DCC%253DCC%2528%253DC1%2529C%2528F%2529%2528F%2529F.png)
