AG00178F

1224464-97-4 | 3-​Pyridinecarboxylic acid, 6-​chloro-​4-​methyl-​, methyl ester

AG00178F

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CAS Number	1224464-97-4
Catalog Number	AG00178F(AGN-PC-0WD26R)
Chemical Name	3-​Pyridinecarboxylic acid, 6-​chloro-​4-​methyl-​, methyl ester
IUPAC Name	methyl 6-chloro-4-methylpyridine-3-carboxylate
InChI	InChI=1S/C8H8ClNO2/c1-5-3-7(9)10-4-6(5)8(11)12-2/h3-4H,1-2H3
InChI Key	BQVXASUNSLLUGY-UHFFFAOYSA-N
MDL Number	MFCD18258050
Molecular Formula	C8H8ClNO2
Molecular Weight	185.6076
SMILES	C(=O)(OC)c1c(C)cc(nc1)Cl
Synonyms	METHYL 6-CHLORO-4-METHYLNICOTINATE, 1224464-97-4, methyl 6-chloro-4-methylpyridine-3-carboxylate, SCHEMBL9957961, DTXSID00673137, BQVXASUNSLLUGY-UHFFFAOYSA-N, MFCD18258050, ZINC72225878, FCH1170796, QC-9085, AK313264, DS-11887, AB0078248, AX8254595, C-0040, Methyl 2-chloro-4-methylpyridine-5-carboxylate, methyl 6-chloro-4-methylpyridine-3-carboxylate, 95% - 1G 1g,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.024g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	185.607g/mol
Monoisotopic Mass	185.024g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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