AG00GA45

851759-19-8 | Methyl 6-chloro-2-methylnicotinate

AG00GA45

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CAS Number	851759-19-8
Catalog Number	AG00GA45(AGN-PC-0D1M46)
Chemical Name	Methyl 6-chloro-2-methylnicotinate
IUPAC Name	methyl 6-chloro-2-methylpyridine-3-carboxylate
InChI	InChI=1S/C8H8ClNO2/c1-5-6(8(11)12-2)3-4-7(9)10-5/h3-4H,1-2H3
InChI Key	BBXGEZRYRMLKTJ-UHFFFAOYSA-N
MDL Number	MFCD14155903
Molecular Formula	C8H8ClNO2
Molecular Weight	185.6076
SMILES	ClC1=NC(=C(C(=O)OC)C=C1)C
Synonyms	851759-19-8, methyl 6-chloro-2-methylnicotinate, methyl 6-chloro-2-methylpyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 6-chloro-2-methyl-, methyl ester, SCHEMBL1246770, BBXGEZRYRMLKTJ-UHFFFAOYSA-N, MFCD14155903, ZINC72207594, AKOS026730307, NE44335, AK498942, AS-47908, DA-02748,

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	2.1

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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