3-(3-Fluoro-4-methylphenyl)-5-trifluoromethylbenzoic acid - CAS 1261972-04-6

Catalog:	BB064923
Product Name:	3-(3-Fluoro-4-methylphenyl)-5-trifluoromethylbenzoic acid
CAS:	1261972-04-6
Synonyms:	3'-Fluoro-4'-methyl-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid; 3-(3-FLUORO-4-METHYLPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID; 3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)benzoic acid; 3/'-Fluoro-4/'-Methyl-5-(trifluoroMethyl)-[1,1/'-biphenyl]-3-carboxylic acid; 3'-Fluoro-4'-methyl-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylicacid

Technical Data

IUPAC Name:	3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)benzoic acid
Description:	3-(3-Fluoro-4-methylphenyl)-5-trifluoromethylbenzoic acid
Molecular Weight:	298.23
Molecular Formula:	C15H10F4O2
Canonical SMILES:	CC1=C(C=C(C=C1)C2=CC(=CC(=C2)C(F)(F)F)C(=O)O)F
InChI:	InChI=1S/C15H10F4O2/c1-8-2-3-9(7-13(8)16)10-4-11(14(20)21)6-12(5-10)15(17,18)19/h2-7H,1H3,(H,20,21)
InChI Key:	GKYADOUZTBGAPJ-UHFFFAOYSA-N

Complexity:	382
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	298.06169221
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	298.06169221
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4