3-(4-Chlorophenyl)-5-trifluoromethylbenzoic acid - CAS 1261964-03-7
Catalog: |
BB069580 |
Product Name: |
3-(4-Chlorophenyl)-5-trifluoromethylbenzoic acid |
CAS: |
1261964-03-7 |
Synonyms: |
4'-Chloro-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid; 3-(4-CHLOROPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID; 3-(4-chlorophenyl)-5-(trifluoromethyl)benzoic acid; 4/'-Chloro-5-(trifluoroMethyl)-[1,1/'-biphenyl]-3-carboxylic acid; 4'-Chloro-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylicacid |
IUPAC Name: | 3-(4-chlorophenyl)-5-(trifluoromethyl)benzoic acid |
Description: | 3-(4-Chlorophenyl)-5-trifluoromethylbenzoic acid |
Molecular Weight: | 300.66 |
Molecular Formula: | C14H8ClF3O2 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC(=CC(=C2)C(F)(F)F)C(=O)O)Cl |
InChI: | InChI=1S/C14H8ClF3O2/c15-12-3-1-8(2-4-12)9-5-10(13(19)20)7-11(6-9)14(16,17)18/h1-7H,(H,19,20) |
InChI Key: | RBRCLVVUOBMDBO-UHFFFAOYSA-N |
Complexity: | 351 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.0164917 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.0164917 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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