AG000XQ3

128072-93-5 | 2-Pyridinecarboxylic acid, 5-chloro-, ethyl ester

AG000XQ3

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CAS Number	128072-93-5
Catalog Number	AG000XQ3(AGN-PC-00P670)
Chemical Name	2-Pyridinecarboxylic acid, 5-chloro-, ethyl ester
IUPAC Name	ethyl 5-chloropyridine-2-carboxylate
InChI	InChI=1S/C8H8ClNO2/c1-2-12-8(11)7-4-3-6(9)5-10-7/h3-5H,2H2,1H3
InChI Key	BEBBWTPLBRZIOF-UHFFFAOYSA-N
MDL Number	MFCD07772018
Molecular Formula	C8H8ClNO2
Molecular Weight	185.6076
SMILES	O=C(OCC)C1=NC=C(Cl)C=C1
Synonyms	128072-93-5, Ethyl 5-chloropicolinate, Ethyl 5-chloro-2-pyridinecarboxylate, Ethyl 5-Chloropyridine-2-carboxylate, 5-Chloropyridine-2-carboxylic acid ethyl ester, 5-Chloro-pyridine-2-carboxylic acid ethyl ester, ACMC-1BZG8, SCHEMBL2414269, CTK0G9322, DTXSID30572548, BEBBWTPLBRZIOF-UHFFFAOYSA-N, Ethyl 5-chloropyridin-2-carboxylate, 3468AD, MFCD07772018, ZINC12336456, AKOS005071857, BB-0606, MCULE-1926818782, RP11050, RTX-012348, VP11688, KS-000022T2, AJ-60894, AK142779, AN-32449, DB-062625, FT-0680839, Z-4971, (5-Chloropyridine)-2-carboxylic acid ethyl ester, 072C935, I02-4451, J-521130, C8H8ClNO2,

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	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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