4-(4-Fluorophenyl)-2-fluorobenzoic acid - CAS 786685-86-7

Catalog:	BB064737
Product Name:	4-(4-Fluorophenyl)-2-fluorobenzoic acid
CAS:	786685-86-7
Synonyms:	3,4'-Difluoro-[1,1'-biphenyl]-4-carboxylic acid; 4-(4-FLUOROPHENYL)-2-FLUOROBENZOIC ACID; 2-fluoro-4-(4-fluorophenyl)benzoic acid; 3,4'-Difluoro-[1,1'-biphenyl]-4-carboxylicacid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-fluoro-4-(4-fluorophenyl)benzoic acid
Description:	4-(4-Fluorophenyl)-2-fluorobenzoic acid
Molecular Weight:	234.2
Molecular Formula:	C13H8F2O2
Canonical SMILES:	C1=CC(=CC=C1C2=CC(=C(C=C2)C(=O)O)F)F
InChI:	InChI=1S/C13H8F2O2/c14-10-4-1-8(2-5-10)9-3-6-11(13(16)17)12(15)7-9/h1-7H,(H,16,17)
InChI Key:	VHYXMXAOCUVYFJ-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	275
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.04923582
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	234.04923582
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3