AG00C46V

211678-96-5 | 3-CHLOROISONICOTINIC ACID ETHYL ESTER

AG00C46V

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CAS Number	211678-96-5
Catalog Number	AG00C46V(AGN-PC-0KKOVT)
Chemical Name	3-CHLOROISONICOTINIC ACID ETHYL ESTER
IUPAC Name	ethyl 3-chloropyridine-4-carboxylate
InChI	InChI=1S/C8H8ClNO2/c1-2-12-8(11)6-3-4-10-5-7(6)9/h3-5H,2H2,1H3
InChI Key	VNSAFDGQUZWUFE-UHFFFAOYSA-N
MDL Number	MFCD03411706
Molecular Formula	C8H8ClNO2
Molecular Weight	185.6076
SMILES	O=C(OCC)C1=CC=NC=C1Cl
Synonyms	Ethyl 3-chloroisonicotinate, 211678-96-5, 3-Chloroisonicotinic acid ethyl ester, 3-Chloropyridine-4-carboxylic acid ethyl ester, Ethyl 3-chloropyridine-4-carboxylate, AC1MC6Y5, SCHEMBL1213901, CTK0J9697, KS-00000NKR, DTXSID30376265, VNSAFDGQUZWUFE-UHFFFAOYSA-N, ZINC2524997, Ethyl 3-chloro-4-pyridinecarboxylate, MFCD03411706, AKOS006278604, 3-Chloro-isonicotinic acid ethyl ester, DS-9557, AK167712, SC-89987, DB-081059, CS-0042812, FT-0615427, 3-CHLOROISONICOTINICACIDETHYLESTER, CID2762498, 4-Pyridinecarboxylic acid, 3-chloro-, ethyl ester (9CI),

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	1.7

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

Lot Number