5-Fluoro-3-(3-trifluoromethylphenyl)benzoic acid - CAS 1261772-10-4
Catalog: |
BB064820 |
Product Name: |
5-Fluoro-3-(3-trifluoromethylphenyl)benzoic acid |
CAS: |
1261772-10-4 |
Synonyms: |
5-FLUORO-3-(3-TRIFLUOROMETHYLPHENYL)BENZOIC ACID; 5-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid; 3-fluoro-5-[3-(trifluoromethyl)phenyl]benzoic acid; 5-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylicacid |
IUPAC Name: | 3-fluoro-5-[3-(trifluoromethyl)phenyl]benzoic acid |
Description: | 5-Fluoro-3-(3-trifluoromethylphenyl)benzoic acid |
Molecular Weight: | 284.21 |
Molecular Formula: | C14H8F4O2 |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=CC(=C2)F)C(=O)O |
InChI: | InChI=1S/C14H8F4O2/c15-12-6-9(4-10(7-12)13(19)20)8-2-1-3-11(5-8)14(16,17)18/h1-7H,(H,19,20) |
InChI Key: | LDSUMHOIDRPNPE-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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