Cas no 1261908-30-8 (3-(3-Fluoro-4-methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid)
1261908-30-8 structure
Product Name:3-(3-Fluoro-4-methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid
CAS No:1261908-30-8
MF:C16H10F4O4
MW:342.241818904877
CID:2762723
PubChem ID:53227981
Update Time:2025-04-21
3-(3-Fluoro-4-methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3'-Fluoro-4'-(methoxycarbonyl)-5-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
- 3-(3-FLUORO-4-METHOXYCARBONYLPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID
- 1261908-30-8
- MFCD18322151
- 3-(3-Fluoro-4-methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid, 95%
- DTXSID60691514
- 3-(3-Fluoro-4-methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid
-
- Inchi： 1S/C16H10F4O4/c1-24-15(23)12-3-2-8(7-13(12)17)9-4-10(14(21)22)6-11(5-9)16(18,19)20/h2-7H,1H3,(H,21,22)
- InChI Key： MGQMGMWHBCZFJX-UHFFFAOYSA-N
- SMILES： FC1=C(C(=O)OC)C=CC(=C1)C1=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-(3-Fluoro-4-methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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