Cas no 1261994-91-5 (3-(2-Fluoro-4-methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid)
1261994-91-5 structure
Product Name:3-(2-Fluoro-4-methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid
CAS No:1261994-91-5
MF:C16H10F4O4
MW:342.241818904877
CID:2768224
PubChem ID:53227919
Update Time:2025-04-21
3-(2-Fluoro-4-methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 3-(2-FLUORO-4-METHOXYCARBONYLPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID
- 1261994-91-5
- MFCD18322089
- DTXSID00691452
- 2'-Fluoro-4'-(methoxycarbonyl)-5-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
- 3-(2-Fluoro-4-methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid, 95%
- 3-(2-Fluoro-4-methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid
-
- Inchi： 1S/C16H10F4O4/c1-24-15(23)8-2-3-12(13(17)7-8)9-4-10(14(21)22)6-11(5-9)16(18,19)20/h2-7H,1H3,(H,21,22)
- InChI Key： SBMCSRNYSSNTIC-UHFFFAOYSA-N
- SMILES： FC1C=C(C(=O)OC)C=CC=1C1=CC(C(=O)O)=CC(C(F)(F)F)=C1
Computed Properties
- Exact Mass: 342.05152144Da
- Monoisotopic Mass: 342.05152144Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 479
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 63.6?2
3-(2-Fluoro-4-methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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