AG00CMNI

375854-57-2 | 6-Chloro-quinoline-3-carboxylic acid ethyl ester

AG00CMNI

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CAS Number	375854-57-2
Catalog Number	AG00CMNI(AGN-PC-0WBKGB)
Chemical Name	6-Chloro-quinoline-3-carboxylic acid ethyl ester
IUPAC Name	ethyl 6-chloroquinoline-3-carboxylate
InChI	InChI=1S/C12H10ClNO2/c1-2-16-12(15)9-5-8-6-10(13)3-4-11(8)14-7-9/h3-7H,2H2,1H3
InChI Key	AQFMAWLPWUGVKP-UHFFFAOYSA-N
MDL Number	MFCD14704943
Molecular Formula	C12H10ClNO2
Molecular Weight	235.6663
SMILES	O=C(C1=CC2=CC(Cl)=CC=C2N=C1)OCC
Synonyms	ETHYL 6-CHLOROQUINOLINE-3-CARBOXYLATE, 375854-57-2, AK-76190, 6-Chloroquinoline-3-carboxylic acid ethyl ester, SCHEMBL4398696, DTXSID40624067, AQFMAWLPWUGVKP-UHFFFAOYSA-N, MFCD14704943, ZINC45921528, AKOS022182727, NS-03169, SC-68624, SY047814, AB0048712, AJ-110583, ST24047137, MFCD14704943 (95%), K-8287, 6-Chloro-quinoline-3-carboxylic acid ethyl ester, 6-(aminomethyl)-2,3-dihydro-1H-inden-1-one,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.04g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	235.667g/mol
Monoisotopic Mass	235.04g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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