2-Chloro-4-(4-trifluoromethylphenyl)benzoic acid - CAS 1261822-09-6

Catalog:	BB055622
Product Name:	2-Chloro-4-(4-trifluoromethylphenyl)benzoic acid
CAS:	1261822-09-6
Synonyms:	3-Chloro-4'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylic acid; 2-CHLORO-4-(4-TRIFLUOROMETHYLPHENYL)BENZOIC ACID; 2-chloro-4-[4-(trifluoromethyl)phenyl]benzoic acid; 3-Chloro-4/'-(trifluoroMethyl)-[1,1/'-biphenyl]-4-carboxylic acid; 3-Chloro-4'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylicacid

Technical Data

IUPAC Name:	2-chloro-4-[4-(trifluoromethyl)phenyl]benzoic acid
Description:	2-Chloro-4-(4-trifluoromethylphenyl)benzoic acid
Molecular Weight:	300.66
Molecular Formula:	C14H8ClF3O2
Canonical SMILES:	C1=CC(=CC=C1C2=CC(=C(C=C2)C(=O)O)Cl)C(F)(F)F
InChI:	InChI=1S/C14H8ClF3O2/c15-12-7-9(3-6-11(12)13(19)20)8-1-4-10(5-2-8)14(16,17)18/h1-7H,(H,19,20)
InChI Key:	ZOKADULJJHFBIX-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:	37.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6