AG000OSO

1258298-29-1 | Benzoic acid, 2-chloro-4-cyano-6-fluoro-

AG000OSO

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CAS Number	1258298-29-1
Catalog Number	AG000OSO(AGN-PC-0H3NJQ)
Chemical Name	Benzoic acid, 2-chloro-4-cyano-6-fluoro-
IUPAC Name	2-chloro-4-cyano-6-fluorobenzoic acid
InChI	InChI=1S/C8H3ClFNO2/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,(H,12,13)
InChI Key	WWFWDVYYRPLSKP-UHFFFAOYSA-N
MDL Number	MFCD22690817
Molecular Formula	C8H3ClFNO2
Molecular Weight	199.5663
SMILES	O=C(O)C1=C(F)C=C(C#N)C=C1Cl
Synonyms	2-chloro-4-cyano-6-fluorobenzoic acid, 1258298-29-1, AK161219, SCHEMBL792494, DTXSID70735796, WWFWDVYYRPLSKP-UHFFFAOYSA-N, KS-00000S1I, ZX-AP012065, 3260AD, MFCD22690817, ZINC94986212, AKOS024464477, DS-7261, FCH1811807, QC-7545, SB12441, 2-Chloro-4-cyano-6-fluoro-benzoic acid, PC400529, AJ-131975, AX8263193, Benzoic acid, 2-chloro-4-cyano-6-fluoro-, 4CH-022767, ST24040323, A1-04728, C8H3ClFNO2, 2-Chloro-4-cyano-6-fluorobenzoic acid, 95% - 1G 1g,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.984g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	199.565g/mol
Monoisotopic Mass	198.984g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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

Certificate of Analysis

Lot Number