AG0090AS

112190-03-1 | 4-Chloro-6-Ethoxyquinoline-3-Carboxylic Acid Ethyl Ester

AG0090AS

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CAS Number	112190-03-1
Catalog Number	AG0090AS(AGN-PC-0JVJBH)
Chemical Name	4-Chloro-6-Ethoxyquinoline-3-Carboxylic Acid Ethyl Ester
IUPAC Name	ethyl 4-chloro-6-ethoxyquinoline-3-carboxylate
InChI	InChI=1S/C14H14ClNO3/c1-3-18-9-5-6-12-10(7-9)13(15)11(8-16-12)14(17)19-4-2/h5-8H,3-4H2,1-2H3
InChI Key	SSOGSEBLCQKKNR-UHFFFAOYSA-N
MDL Number	MFCD02166834
Molecular Formula	C14H14ClNO3
Molecular Weight	279.7189
SMILES	O=C(C1=C(Cl)C2=CC(OCC)=CC=C2N=C1)OCC
Synonyms	ethyl 4-chloro-6-ethoxyquinoline-3-carboxylate, 112190-03-1, 4-Chloro-6-ethoxyquinoline-3-carboxylic acid ethyl ester, 4-Chloro-6-ethoxy-quinoline-3-carboxylic acid ethyl ester, BAS 02168904, AC1LDYO4, Oprea1_325126, Oprea1_835913, SCHEMBL620724, DTXSID20352472, SSOGSEBLCQKKNR-UHFFFAOYSA-N, ZINC136882, MFCD02166834, STL332055, AKOS000201252, IMED316981807, CCG-108127, MCULE-5400780186, AJ-12314, OR309350, ST029806, AX8255815, EU-0040422, T6164, SR-01000453172, SR-01000453172-1, F0911-3761, 4-Chloro-6-ethoxyquinoline-3-carboxylic acid ethyl ester, AldrichCPR, CID727468, Ethyl4-chloro-6-ethoxyquinoline-3-carboxylate,

Complexity	313
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	279.066g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	279.72g/mol
Monoisotopic Mass	279.066g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	48.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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