3-(3,5-Difluorophenyl)-5-trifluoromethylbenzoic acid - CAS 1261950-34-8
Catalog: |
BB067583 |
Product Name: |
3-(3,5-Difluorophenyl)-5-trifluoromethylbenzoic acid |
CAS: |
1261950-34-8 |
Synonyms: |
3',5'-Difluoro-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid; 3-(3,5-DIFLUOROPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID; 3-(3,5-difluorophenyl)-5-(trifluoromethyl)benzoic acid; 3',5'-Difluoro-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylicacid |
IUPAC Name: | 3-(3,5-difluorophenyl)-5-(trifluoromethyl)benzoic acid |
Description: | 3-(3,5-Difluorophenyl)-5-trifluoromethylbenzoic acid |
Molecular Weight: | 302.2 |
Molecular Formula: | C14H7F5O2 |
Canonical SMILES: | C1=C(C=C(C=C1C(=O)O)C(F)(F)F)C2=CC(=CC(=C2)F)F |
InChI: | InChI=1S/C14H7F5O2/c15-11-4-8(5-12(16)6-11)7-1-9(13(20)21)3-10(2-7)14(17,18)19/h1-6H,(H,20,21) |
InChI Key: | CDMSKBIJHRCOGS-UHFFFAOYSA-N |
Complexity: | 374 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.03662027 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.03662027 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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