AG00EAIO

63592-85-8 | Methyl 4-chloronicotinate

AG00EAIO

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CAS Number	63592-85-8
Catalog Number	AG00EAIO(AGN-PC-0NJGNR)
Chemical Name	Methyl 4-chloronicotinate
IUPAC Name	methyl 4-chloropyridine-3-carboxylate
InChI	InChI=1S/C7H6ClNO2/c1-11-7(10)5-4-9-3-2-6(5)8/h2-4H,1H3
InChI Key	SNZRPPBWRSEVIU-UHFFFAOYSA-N
MDL Number	MFCD10568268
Molecular Formula	C7H6ClNO2
Molecular Weight	171.5810
SMILES	COC(=O)C1=CN=CC=C1Cl
Synonyms	Methyl 4-chloronicotinate, 63592-85-8, METHYL 4-CHLOROPYRIDINE-3-CARBOXYLATE, METHYL 4-CHLORO-3-PYRIDINECARBOXYLATE, 4-chloro-3-pyridinecarboxylic acid methyl ester, methyl 4-chloronicotinoate, Methyl 4-Chloronicotinate, 4-Chloropyridine-3-carboxylic acid methyl ester, ACMC-1B50W, SCHEMBL1522544, 3-carbomethoxy-4-chloropyridine, CTK2F2409, DTXSID90503075, SNZRPPBWRSEVIU-UHFFFAOYSA-N, 4-Chloronicotinic acid methyl ester, KS-00003H0L, ANW-34676, MFCD10568268, SBB053827, ZINC39248952, AKOS006303366, AB56385, AS-5395, QC-1541, RP23395, methyl 4-chloranylpyridine-3-carboxylate, AJ-99372, SC-14686, AB0001248, DB-030027, TR-021875, 4CH-024387, FT-0650243, ST24047913, A834432, I02-1997, J-522335, 3-PYRIDINECARBOXYLIC ACID, 4-CHLORO-, METHYL ESTER, Methyl4-chloronicotinate,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.009g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	171.58g/mol
Monoisotopic Mass	171.009g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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