Cas no 1261973-28-7 (3-(2,5-Difluorophenyl)-5-trifluoromethylbenzoic acid)
1261973-28-7 structure
Product Name:3-(2,5-Difluorophenyl)-5-trifluoromethylbenzoic acid
CAS No:1261973-28-7
MF:C14H7F5O2
MW:302.196201562881
CID:2621557
PubChem ID:53226000
Update Time:2025-04-21
3-(2,5-Difluorophenyl)-5-trifluoromethylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- DTXSID40689732
- 2',5'-Difluoro-5-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
- 1261973-28-7
- 3-(2,5-Difluorophenyl)-5-trifluoromethylbenzoic acid, 95%
- MFCD18320086
- 2',5'-Difluoro-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid
- 3-(2,5-DIFLUOROPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID
- 3-(2,5-Difluorophenyl)-5-trifluoromethylbenzoic acid
-
- Inchi： 1S/C14H7F5O2/c15-10-1-2-12(16)11(6-10)7-3-8(13(20)21)5-9(4-7)14(17,18)19/h1-6H,(H,20,21)
- InChI Key： FXVWOLNPDPNEAR-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1C1=CC(C(=O)O)=CC(C(F)(F)F)=C1)F
Computed Properties
- Exact Mass: 302.03662027Da
- Monoisotopic Mass: 302.03662027Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 384
- 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: 4.2
- Topological Polar Surface Area: 37.3?2
3-(2,5-Difluorophenyl)-5-trifluoromethylbenzoic acid Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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