4-(2-Fluoro-3-trifluoromethylphenyl)benzoic acid - CAS 1261896-07-4
Catalog: |
BB064828 |
Product Name: |
4-(2-Fluoro-3-trifluoromethylphenyl)benzoic acid |
CAS: |
1261896-07-4 |
Synonyms: |
4-(2-FLUORO-3-TRIFLUOROMETHYLPHENYL)BENZOIC ACID; 2'-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylic acid; 4-[2-fluoro-3-(trifluoromethyl)phenyl]benzoic acid; 2/'-Fluoro-3/'-(trifluoroMethyl)-[1,1/'-biphenyl]-4-carboxylic acid; 2'-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 4-[2-fluoro-3-(trifluoromethyl)phenyl]benzoic acid |
Description: | 4-(2-Fluoro-3-trifluoromethylphenyl)benzoic acid |
Molecular Weight: | 284.21 |
Molecular Formula: | C14H8F4O2 |
Canonical SMILES: | C1=CC(=C(C(=C1)C(F)(F)F)F)C2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C14H8F4O2/c15-12-10(2-1-3-11(12)14(16,17)18)8-4-6-9(7-5-8)13(19)20/h1-7H,(H,19,20) |
InChI Key: | HLIZWXQYNCUVNP-UHFFFAOYSA-N |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.04604214 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.04604214 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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