AG000OCO

1256785-40-6 | 3-Pyridinecarboxylic acid, 4-amino-6-chloro-, methyl ester

AG000OCO

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CAS Number	1256785-40-6
Catalog Number	AG000OCO(AGN-PC-0J0XXO)
Chemical Name	3-Pyridinecarboxylic acid, 4-amino-6-chloro-, methyl ester
IUPAC Name	methyl 4-amino-6-chloropyridine-3-carboxylate
InChI	InChI=1S/C7H7ClN2O2/c1-12-7(11)4-3-10-6(8)2-5(4)9/h2-3H,1H3,(H2,9,10)
InChI Key	CMIKPJBQKHVWJH-UHFFFAOYSA-N
MDL Number	MFCD18259038
Molecular Formula	C7H7ClN2O2
Molecular Weight	186.5957
SMILES	O=C(OC)C1=CN=C(Cl)C=C1N
Synonyms	Methyl 4-amino-6-chloronicotinate, 1256785-40-6, methyl 4-amino-6-chloropyridine-3-carboxylate, 4-amino-6-chloro-nicotinic acid methyl ester, SCHEMBL4499056, CTK8B9783, DTXSID10743370, CMIKPJBQKHVWJH-UHFFFAOYSA-N, KS-00001B3I, 4828AA, ANW-63066, MFCD18259038, ZINC72190313, AKOS016004466, MCULE-3194384188, AC-24999, AK-90202, DA-46647, AJ-119138, TC-151811, FT-0731811, 3-Pyridinecarboxylic acid, 4-amino-6-chloro-, methyl ester, C7H7ClN2O2, Methyl4-amino-6-chloronicotinate,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.02g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.595g/mol
Monoisotopic Mass	186.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	65.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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