AG000ODC

1256791-15-7 | 3-Pyridinecarboxylic acid, 2-chloro-5-methoxy-, methyl ester

AG000ODC

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CAS Number	1256791-15-7
Catalog Number	AG000ODC(AGN-PC-0WCJAY)
Chemical Name	3-Pyridinecarboxylic acid, 2-chloro-5-methoxy-, methyl ester
IUPAC Name	methyl 2-chloro-5-methoxypyridine-3-carboxylate
InChI	InChI=1S/C8H8ClNO3/c1-12-5-3-6(8(11)13-2)7(9)10-4-5/h3-4H,1-2H3
InChI Key	JYKTUKSGCDNJPO-UHFFFAOYSA-N
MDL Number	MFCD18257753
Molecular Formula	C8H8ClNO3
Molecular Weight	201.6070
SMILES	C(=O)(OC)c1cc(OC)cnc1Cl
Synonyms	Methyl 2-chloro-5-methoxynicotinate, 1256791-15-7, methyl 2-chloro-5-methoxypyridine-3-carboxylate, SCHEMBL17892722, JYKTUKSGCDNJPO-UHFFFAOYSA-N, MFCD18257753, ZINC96372358, AKOS025290904, FCH1365799, SB10935, AK170856, AS-33888, CS-0049170, KS-00000472, Methyl 2-chloro-5-methoxynicotinate, AldrichCPR, 3-Pyridinecarboxylic acid, 2-chloro-5-methoxy-, methyl ester,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.019g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	201.606g/mol
Monoisotopic Mass	201.019g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	48.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312+P330
UN Code

Certificate of Analysis

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