3-(3-Carboxyphenyl)-5-(trifluoromethyl)benzoic acid - CAS 1261930-96-4

Name: 3-(3-Carboxyphenyl)-5-(trifluoromethyl)benzoic acid
Brand: BOC Sciences
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Catalog:	BB070523
Product Name:	3-(3-Carboxyphenyl)-5-(trifluoromethyl)benzoic acid
CAS:	1261930-96-4
Synonyms:	3-(3-Carboxyphenyl)-5-(trifluoromethyl)benzoic acid; 5-(Trifluoromethyl)-[1,1'-biphenyl]-3,3'-dicarboxylic acid; 5-(TrifluoroMethyl)-[1,1/'-biphenyl]-3,3/'-dicarboxylic acid; 3-(3-CARBOXYPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID; 5-(Trifluoromethyl)-[1,1'-biphenyl]-3,3'-dicarboxylicacid

Technical Data

IUPAC Name:	3-(3-carboxyphenyl)-5-(trifluoromethyl)benzoic acid
Description:	3-(3-Carboxyphenyl)-5-(trifluoromethyl)benzoic acid
Molecular Weight:	310.23
Molecular Formula:	C15H9F3O4
Canonical SMILES:	C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC(=C2)C(F)(F)F)C(=O)O
InChI:	InChI=1S/C15H9F3O4/c16-15(17,18)12-6-10(5-11(7-12)14(21)22)8-2-1-3-9(4-8)13(19)20/h1-7H,(H,19,20)(H,21,22)
InChI Key:	JWRDOJUKPATJKE-UHFFFAOYSA-N

Complexity:	435
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	310.04529325
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	310.04529325
Rotatable Bond Count:	3
Topological Polar Surface Area:	74.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1