AG0036V8

98592-34-8 | methyl 2-chloro-4-cyanobenzoate

AG0036V8

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CAS Number	98592-34-8
Catalog Number	AG0036V8(AGN-PC-09ZJLA)
Chemical Name	methyl 2-chloro-4-cyanobenzoate
IUPAC Name	methyl 2-chloro-4-cyanobenzoate
InChI	InChI=1S/C9H6ClNO2/c1-13-9(12)7-3-2-6(5-11)4-8(7)10/h2-4H,1H3
InChI Key	GLZBUNHGODEJPT-UHFFFAOYSA-N
MDL Number	MFCD14635863
Molecular Formula	C9H6ClNO2
Molecular Weight	195.6024
SMILES	ClC1=C(C(=O)OC)C=CC(=C1)C#N
Synonyms	Methyl 2-chloro-4-cyanobenzoate, 98592-34-8, Benzoic acid, 2-chloro-4-cyano-, methyl ester, A1-00749, ACMC-20ahi6, SCHEMBL392298, CTK3G7774, DTXSID20707089, GLZBUNHGODEJPT-UHFFFAOYSA-N, 6914AC, ANW-73612, CL9182, MFCD14635863, ZINC85225037, AKOS016007750, CM12558, FCH1159585, AK-41472, AS-46237, 2-chloro-4-cyano benzoic acid methyl ester, 2-Chloro-4-cyano-benzoic acid methyl ester, 2-chloro-4-cyanobenzoic acid, methyl ester, AJ-127687, AX8187961, TC-162357, CS-0061807, C9H6ClNO2, Methyl2-chloro-4-cyanobenzoate,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.009g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.602g/mol
Monoisotopic Mass	195.009g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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