AG003K3S

5731-10-2 | 4-(4-Fluorophenyl)benzoic acid

AG003K3S

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CAS Number	5731-10-2
Catalog Number	AG003K3S(AGN-PC-00SRTS)
Chemical Name	4-(4-Fluorophenyl)benzoic acid
IUPAC Name	4-(4-fluorophenyl)benzoic acid
InChI	InChI=1S/C13H9FO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)
InChI Key	LXWNTLBMNCXRQN-UHFFFAOYSA-N
MDL Number	MFCD01631909
Molecular Formula	C13H9FO2
Molecular Weight	216.2078
SMILES	O=C(C1=CC=C(C2=CC=C(F)C=C2)C=C1)O
Synonyms	5731-10-2, 4-(4-Fluorophenyl)benzoic acid, 4'-Fluoro-biphenyl-4-carboxylic acid, 4'-fluorobiphenyl-4-carboxylic acid, 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID, 4'-Fluoro-[1,1'-biphenyl]-4-carboxylic acid, 4'-Fluoro-biphenyl-4-carboxylic aci, MFCD01631909, 4-Biphenyl-4'-fluoro-carboxylic acid, CHEMBL106708, 4-(4-Fluorophenyl)benzoic acid, 97%, 4'-fluoro[1,1'-biphenyl]-4-carboxylic acid, 4FC, 4'-fluoro(1,1'-biphenyl)-4-carboxylic acid, 1ysg, 4-Biphenyl-4'-fluoro-carboxylicacid, PubChem10277, 1,5-dibenzoyloxybenzene, ACMC-1AO1D, AC1MD2V4, AMTDA057, SCHEMBL202110, CTK1H5220, DTXSID20382219, 4n98, LXWNTLBMNCXRQN-UHFFFAOYSA-N, 4PND-Q05-0, HMS3604O22, AC1Q7351, ALBB-005735, BCP26386, ZINC2382451, ANW-14001, BDBM50060993, STK034344, AKOS000314415, 4''-Fluoro-biphenyl-4-carboxylic acid, AC-6457, AS-2091, DB07108, MB01930, MCULE-2876558511, VZ27375, WT82070, KS-0000227D, NCGC00341378-01, AM807486, AN-10005, BC216779, AB1004438, DB-014360, TX-012045, BB 0222378, M-2003, AB01331977-02, I01-9420, J-515402, 4''-FLUORO-1,1''-BIPHENYL-4-CARBOXYLIC ACID, F9995-0561, [1,1'-BIPHENYL]-4-CARBOXYLIC ACID, 4'-FLUORO-, null, D0T3VP, C13H9FO2, 4'-Fluoro-biphenyl-4-carboxylicacid, CID2782689, 4-FLUORO-BIPHENYL-4-CARBOXYLIC ACID, A1345, A15038,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.059g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.211g/mol
Monoisotopic Mass	216.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number