AG003561

3998-90-1 | Methyl 2-chloro-6-methylisonicotinate

AG003561

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CAS Number	3998-90-1
Catalog Number	AG003561(AGN-PC-0KKNIH)
Chemical Name	Methyl 2-chloro-6-methylisonicotinate
IUPAC Name	methyl 2-chloro-6-methylpyridine-4-carboxylate
InChI	InChI=1S/C8H8ClNO2/c1-5-3-6(8(11)12-2)4-7(9)10-5/h3-4H,1-2H3
InChI Key	BDWMGYZSQKGUFA-UHFFFAOYSA-N
MDL Number	MFCD04038391
Molecular Formula	C8H8ClNO2
Molecular Weight	185.6076
SMILES	ClC=1C=C(C(=O)OC)C=C(N1)C
Synonyms	3998-90-1, Methyl 2-chloro-6-methylpyridine-4-carboxylate, Methyl 2-chloro-6-methylisonicotinate, Methyl 2-chloro-6-picoline-4-carboxylate, 2-chloro-6-picoline-4-carboxylic acid methyl ester, 2-Chloro-6-methylpyridine-4-carboxylic Acid Methyl Ester, MFCD04038391, 4-Pyridinecarboxylic acid, 2-chloro-6-methyl-, methyl ester, PubChem17060, AC1MC1BB, Methyl2-chloro-6-methylpyridine-4-carboxylate, ACMC-209j9m, KSC495I3J, SCHEMBL1179017, CTK3J5434, DTXSID60374931, BDWMGYZSQKGUFA-UHFFFAOYSA-N, ACT08409, CS-D0956, ZINC2525304, Methyl2-chloro-6-methylisonicotinate, ANW-29240, CL0088, CM-497, SBB065648, AKOS006340214, AB17061, CM11010, LS20027, PS-6097, QC-1727, RP03406, RTR-015951, TRA0053411, KS-000004A6, AC-23148, AJ-37412, AK-25921, BR-25921, CJ-08824, SC-22873, SY006033, AB0006389, AB1000657, DB-010712, TR-015951, FT-0650046, M2239, ST24033237, 2-Chloro-4-(methoxycarbonyl)-6-methylpyridine, A18735, M-2505, methyl 6-chloro-2-methylpyridine-4-carboxylate, methyl-2-chloro-6-methylpyridine-4-carboxylate, 2-chloro-6-methyl-isonicotinic acid methyl ester, 2-Chloro-6-methylisonicotinic Acid Methyl Ester, methyl 2-chloro-6-methyl-pyridine-4-carboxylate, MFCD04038391 (97+%), 998M901, I02-1857, J-521993, Methyl 2-chloro-6-methylpyridine-4-carboxylate, 97%, 2-chloro-6-methyl pyridine-4-carboxylic acid methyl ester, C8H8ClNO2, ZINC02525304, CID2759833,

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+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number