AG005VMY

98273-79-1 | Methyl 3-chloroisonicotinate

AG005VMY

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CAS Number	98273-79-1
Catalog Number	AG005VMY(AGN-PC-00OVXH)
Chemical Name	Methyl 3-chloroisonicotinate
IUPAC Name	methyl 3-chloropyridine-4-carboxylate
InChI	InChI=1S/C7H6ClNO2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,1H3
InChI Key	UWSWHAPVUHNFKD-UHFFFAOYSA-N
MDL Number	MFCD09910337
Molecular Formula	C7H6ClNO2
Molecular Weight	171.5810
SMILES	O=C(OC)C1=CC=NC=C1Cl
Synonyms	Methyl 3-chloroisonicotinate, 98273-79-1, methyl 3-chloropyridine-4-carboxylate, 3-Chloropyridine-4-carboxylic acid methyl ester, 4-Pyridinecarboxylic acid, 3-chloro-, methyl ester, 3-chloroisonicotinic acid methyl ester, methyl3-chloroisonicotinate, SCHEMBL949750, CTK5H9793, DTXSID50571497, UWSWHAPVUHNFKD-UHFFFAOYSA-N, ANW-60122, MFCD09910337, ZINC26898755, AKOS006310563, ACN-050941, GS-5006, NE54540, VZ32596, KS-000011P6, AJ-83229, AK-79008, AM804628, QC-10267, AB0036272, DB-010179, DB-026073, TC-148867, CS-0038405, FT-0738616, ST24031037, Y3316, M67400, 3-chloro-pyridine-4-carboxylic acid methyl ester, 4-Pyridinecarboxylicacid, 3-chloro-, methyl ester, C7H6ClNO2, Methyl 3-chloroisonicotite, N/A,

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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