AG002JLX

20825-98-3 | 3-Pyridinecarboxylic acid, 5-chloro-, ethyl ester

AG002JLX

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CAS Number	20825-98-3
Catalog Number	AG002JLX(AGN-PC-0JN3HQ)
Chemical Name	3-Pyridinecarboxylic acid, 5-chloro-, ethyl ester
IUPAC Name	ethyl 5-chloropyridine-3-carboxylate
InChI	InChI=1S/C8H8ClNO2/c1-2-12-8(11)6-3-7(9)5-10-4-6/h3-5H,2H2,1H3
InChI Key	NPPHNBKRBUSDQB-UHFFFAOYSA-N
MDL Number	MFCD01692171
Molecular Formula	C8H8ClNO2
Molecular Weight	185.6076
SMILES	CCOC(=O)C1=CN=CC(Cl)=C1
Synonyms	20825-98-3, Ethyl 5-chloronicotinate, Ethyl 3-chloro-5-pyridinecarboxylate, ethyl 5-chloropyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 5-chloro-, ethyl ester, Ethyl 5-chloro-3-pyridinecarboxylate, 5-Chloropyridine-3-carboxylic acid ethyl ester, 5-chloro-nicotinic acid ethyl ester, Ethyl 3-chloro-5pyridine carboxylate, BRN 0473371, 5-22-02-00177 (Beilstein Handbook Reference), AC1L4NSY, AC1Q64LK, SCHEMBL336221, CTK4E5238, DTXSID10174943, NPPHNBKRBUSDQB-UHFFFAOYSA-N, ZINC3621413, 0655AB, ANW-55929, MFCD01692171, AKOS006277918, RP24572, AJ-45116, DB-082580, LS-130763, TC-144674, FT-0684555, C-5960, E67400, J-520866, I14-28431, C8H8ClNO2, AR-1I9430, CID210009, 5483-22-7,

Complexity	163
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	3
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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