AG0024QB

176508-81-9 | Benzoic acid, 4-cyano-3-fluoro-

AG0024QB

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CAS Number	176508-81-9
Catalog Number	AG0024QB(AGN-PC-0KKYWS)
Chemical Name	Benzoic acid, 4-cyano-3-fluoro-
IUPAC Name	4-cyano-3-fluorobenzoic acid
InChI	InChI=1S/C8H4FNO2/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-3H,(H,11,12)
InChI Key	ZWKNDLMYSLLMRF-UHFFFAOYSA-N
MDL Number	MFCD03094324
Molecular Formula	C8H4FNO2
Molecular Weight	165.1213
SMILES	N#Cc1ccc(cc1(F))C(=O)O
Synonyms	4-cyano-3-fluorobenzoic acid, 176508-81-9, 3-fluoro-4-cyanobenzoic acid, 4-Cyano-3-fluorobenzoicacid, 4-cyano-3-fluoro-benzoic Acid, Benzoic acid, 4-cyano-3-fluoro-, PubChem4604, AC1MCTD1, ACMC-20a05i, KSC536E3F, SCHEMBL393075, 4-Carboxy-2-fluorobenzonitrile, Jsp003631, Benzoic acid,4-cyano-3-fluoro-, CTK4D6232, DTXSID00380955, 4-cyano-3-fluoranyl-benzoic acid, ZWKNDLMYSLLMRF-UHFFFAOYSA-N, ACN-S004312, ACT01028, BCP17417, KS-00000CP2, ZINC2243228, AC-434, ANW-51124, CF-138, CK1071, MFCD03094324, SBB064340, AKOS005063920, AN-6176, AS00766, CC-1151, CM12623, CS-W008427, PS-6743, RP22774, RTR-008042, TRA0067424, VZ28891, AJ-34255, AK-33745, BC220814, BR-33745, SC-47329, SY014947, AB0020735, DB-006790, TR-008042, 4CH-009661, AM20050121, FT-0081420, FT-0651135, ST24029061, V1735, M-2939, MFCD03094324 (97+%), 508C819, A812187, 3S210894, I01-4655, C8H4FNO2, 3-fluoro-4-methylbenzoicacid, 4-fluoro-2-trifluoromethylbenzonitrile, CID2778468, A3918, C2799, 4-Cyano-3-fluorobenzoic acid, 98% - 1G 1g, 194853-86-6,

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	1.3

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

Lot Number