AG001UO2

164149-28-4 | Benzoic acid, 4-cyano-2-fluoro-

AG001UO2

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CAS Number	164149-28-4
Catalog Number	AG001UO2(AGN-PC-0JTESY)
Chemical Name	Benzoic acid, 4-cyano-2-fluoro-
IUPAC Name	4-cyano-2-fluorobenzoic acid
InChI	InChI=1S/C8H4FNO2/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3H,(H,11,12)
InChI Key	KEJMSTJTAWACNI-UHFFFAOYSA-N
MDL Number	MFCD03094454
Molecular Formula	C8H4FNO2
Molecular Weight	165.1213
SMILES	O=C(O)C1=CC=C(C#N)C=C1F
Synonyms	4-Cyano-2-fluorobenzoic acid, 164149-28-4, 2-Fluoro-4-cyanobenzoic acid, Benzoic acid, 4-cyano-2-fluoro-, 4-Carboxy-3-fluorobenzonitrile, 4-cyano-2-fluoro-benzoic acid, KEJMSTJTAWACNI-UHFFFAOYSA-N, 4-Cyano-2-fluorobenzoic acid, 97%, MFCD03094454, 4-cyano-2-fluorobenzoicacid, PubChem4603, ACMC-1BZBK, AC1LBXF3, Intermediates-ZCF02232, 2-fluoro4-cyanobenzoic acid, KSC489O1D, SCHEMBL389029, 4-cyano-2-fluoro benzoic acid, TOSLAB 49108, 4-Cyano-2-fluorobenzoic acid #, Benzoic acid,4-cyano-2-fluoro-, CTK3I9711, TIMTEC-BB SBB028478, TOS-BB-0109, DTXSID00343580, SP362, ACT01026, KS-00000M4N, ZINC2243315, ANW-22075, BBL005299, CL8116, FC1135, SBB028478, STK296506, AKOS000113194, AC-3940, AM61333, AS01838, CC-1150, CM12621, CS-W008006, FS-2429, LS11606, MCULE-6344455009, RP22775, RTR-007053, TRA0084675, VZ28889, BENZOIC ACID, 4-CYANO-2-FLUORO, AJ-34286, AK-33580, AN-12493, BR-33580, SC-46021, AB0022664, ST2418319, TR-007053, A3645, FT-0081520, FT-0617772, ST50408476, W3578, S-1744, 149C284, I01-4640, J-515219, C8H4FNO2, CID590659, ACN-040638, C2051,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.023g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	165.123g/mol
Monoisotopic Mass	165.023g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code	\N

Certificate of Analysis

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