AG0004AD

1013648-04-8 | 3-Pyridinecarboxylic acid, 2,6-dichloro-4-methyl-, methyl ester

AG0004AD

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CAS Number	1013648-04-8
Catalog Number	AG0004AD(AGN-PC-080TXW)
Chemical Name	3-Pyridinecarboxylic acid, 2,6-dichloro-4-methyl-, methyl ester
IUPAC Name	methyl 2,6-dichloro-4-methylpyridine-3-carboxylate
InChI	InChI=1S/C8H7Cl2NO2/c1-4-3-5(9)11-7(10)6(4)8(12)13-2/h3H,1-2H3
InChI Key	QOTFUYQFPHLJTM-UHFFFAOYSA-N
MDL Number	MFCD15144593
Molecular Formula	C8H7Cl2NO2
Molecular Weight	220.0527
SMILES	ClC1=C(C(=O)OC)C(=CC(=N1)Cl)C
Synonyms	methyl 2,6-dichloro-4-methylnicotinate, 1013648-04-8, AK-50925, methyl 2,6-dichloro-4-methylpyridine-3-carboxylate, SCHEMBL1085042, CTK3J9709, KS-00000HYZ, DTXSID40677250, QOTFUYQFPHLJTM-UHFFFAOYSA-N, 0371AA, ANW-52735, MFCD15144593, ZINC64034153, AKOS005146328, CM-2159, FCH1388540, DS-15566, AB0088536, AJ-114732, AX8162457, DB-001046, TC-061814, AM20050611, CS-0061273, FT-0731129, ST24030880, 2,6-Dichloro-4-methyl-nicotinic acid methyl ester, I02-2232, 2,6-dichloro-4-methyl-pyridine-3-carboxylic acid methylester, 3-Pyridinecarboxylic acid, 2,6-dichloro-4-methyl-, methyl ester, C8H7Cl2NO2, Methyl2,6-dichloro-4-MethylNicotinate, A15057,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.985g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	220.049g/mol
Monoisotopic Mass	218.985g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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