AG000RSN

1261491-28-4 | 3-Pyridinecarboxylic acid, 4-chloro-2-methyl-, methyl ester

AG000RSN

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CAS Number	1261491-28-4
Catalog Number	AG000RSN(AGN-PC-0WNH64)
Chemical Name	3-Pyridinecarboxylic acid, 4-chloro-2-methyl-, methyl ester
IUPAC Name	methyl 4-chloro-2-methylpyridine-3-carboxylate
InChI	InChI=1S/C8H8ClNO2/c1-5-7(8(11)12-2)6(9)3-4-10-5/h3-4H,1-2H3
InChI Key	PMWJYAHNDINWIY-UHFFFAOYSA-N
MDL Number	MFCD18417481
Molecular Formula	C8H8ClNO2
Molecular Weight	185.6076
SMILES	COC(=O)C1=C(Cl)C=CN=C1C
Synonyms	1261491-28-4, methyl 4-chloro-2-methylpyridine-3-carboxylate, methyl 4-chloro-2-methylnicotinate, 3-Pyridinecarboxylic acid, 4-chloro-2-methyl-, methyl ester, SCHEMBL15454465, PMWJYAHNDINWIY-UHFFFAOYSA-N, KS-000008LB, MFCD18417481, ZINC214888640, AS-54015, CS-0049043, FT-0711108,

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	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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