AG0014XQ

1214379-33-5 | Benzoic acid, 2-cyano-3-fluoro-

AG0014XQ

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CAS Number	1214379-33-5
Catalog Number	AG0014XQ(AGN-PC-0WCBLB)
Chemical Name	Benzoic acid, 2-cyano-3-fluoro-
IUPAC Name	2-cyano-3-fluorobenzoic acid
InChI	InChI=1S/C8H4FNO2/c9-7-3-1-2-5(8(11)12)6(7)4-10/h1-3H,(H,11,12)
InChI Key	LMZPDUDNUCZPQQ-UHFFFAOYSA-N
MDL Number	MFCD14702324
Molecular Formula	C8H4FNO2
Molecular Weight	165.1213
SMILES	O=C(O)C1=CC=CC(F)=C1C#N
Synonyms	2-Cyano-3-fluorobenzoic acid, 1214379-33-5, DTXSID90673520, Benzoic acid, 2-cyano-3-fluoro-, 1174AD, MFCD14702324, ZINC47212325, AKOS026671557, MCULE-5210555282, NE38641, FT-0713870, Z1795818277, C8H4FNO2,

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	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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