AG000RYW

1261739-13-2 | 2-Pyridinecarboxylic acid, 4-chloro-5-methyl-, ethyl ester

AG000RYW

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CAS Number	1261739-13-2
Catalog Number	AG000RYW(AGN-PC-0WAD5Y)
Chemical Name	2-Pyridinecarboxylic acid, 4-chloro-5-methyl-, ethyl ester
IUPAC Name	ethyl 4-chloro-5-methylpyridine-2-carboxylate
InChI	InChI=1S/C9H10ClNO2/c1-3-13-9(12)8-4-7(10)6(2)5-11-8/h4-5H,3H2,1-2H3
InChI Key	YWSZVSFVKKLKOU-UHFFFAOYSA-N
MDL Number	MFCD18416520
Molecular Formula	C9H10ClNO2
Molecular Weight	199.6342
SMILES	O=C(OCC)C1=NC=C(C)C(Cl)=C1
Synonyms	Ethyl 4-chloro-5-methylpicolinate, 1261739-13-2, ethyl 4-chloro-5-methylpyridine-2-carboxylate, AK138861, SCHEMBL17439991, DTXSID00856781, YWSZVSFVKKLKOU-UHFFFAOYSA-N, KS-00000RS2, MFCD18416520, ZINC95496168, AKOS022172456, DS-6120, FCH1181282, MP-1002, QC-8439, SC-16574, AJ-132712, AX8260480, ST2419348, 4CH-012585, Z4052, 2-Pyridinecarboxylic acid, 4-chloro-5-methyl-, ethyl ester, C9H10ClNO2, Ethyl 4-chloro-5-methylpicolite,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.04g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.634g/mol
Monoisotopic Mass	199.04g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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