3-(4-Fluoro-3-trifluoromethylphenyl)benzoic acid - CAS 942475-06-1
Catalog: |
BB064835 |
Product Name: |
3-(4-Fluoro-3-trifluoromethylphenyl)benzoic acid |
CAS: |
942475-06-1 |
Synonyms: |
3-(4-Fluoro-3-trifluoromethylphenyl)benzoic acid; 4'-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid; 3-[4-fluoro-3-(trifluoromethyl)phenyl]benzoic acid; 4'-Fluoro-3'-trifluoromethyl-biphenyl-3-carboxylic acid; 4'-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylicacid |
IUPAC Name: | 3-[4-fluoro-3-(trifluoromethyl)phenyl]benzoic acid |
Description: | 3-(4-Fluoro-3-trifluoromethylphenyl)benzoic acid |
Molecular Weight: | 284.21 |
Molecular Formula: | C14H8F4O2 |
Canonical SMILES: | C1=CC(=CC(=C1)C(=O)O)C2=CC(=C(C=C2)F)C(F)(F)F |
InChI: | InChI=1S/C14H8F4O2/c15-12-5-4-9(7-11(12)14(16,17)18)8-2-1-3-10(6-8)13(19)20/h1-7H,(H,19,20) |
InChI Key: | ABLWZGYIIJQBOR-UHFFFAOYSA-N |
Complexity: | 356 |
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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