AG005DU4

77156-85-5 | Ethyl 4-chloro-7-methoxyquinoline-3-carboxylate

AG005DU4

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CAS Number	77156-85-5
Catalog Number	AG005DU4(AGN-PC-0JVK5V)
Chemical Name	Ethyl 4-chloro-7-methoxyquinoline-3-carboxylate
IUPAC Name	ethyl 4-chloro-7-methoxyquinoline-3-carboxylate
InChI	InChI=1S/C13H12ClNO3/c1-3-18-13(16)10-7-15-11-6-8(17-2)4-5-9(11)12(10)14/h4-7H,3H2,1-2H3
InChI Key	IXMRUGGFGJIANG-UHFFFAOYSA-N
MDL Number	MFCD02217815
Molecular Formula	C13H12ClNO3
Molecular Weight	265.6923
SMILES	O=C(C1=C(Cl)C2=CC=C(OC)C=C2N=C1)OCC
Synonyms	ethyl 4-chloro-7-methoxyquinoline-3-carboxylate, 77156-85-5, Ethyl 4-chloro-7-methoxy-3-quinolinecarboxylate, MFCD02217815, AK-29523, 4-Chloro-7-methoxyquinoline-3-carboxylic acid ethyl ester, AC1Q3LGT, CBMicro_031264, AC1LE1Y1, AC1Q32ZG, MixCom6_001568, Oprea1_775529, SCHEMBL1467397, ETHYL 4-CHLORO-7-METHOXYQUINOLINE- 3-CARBOXYLATE, CTK8B8997, 4-Chloro-7-methoxy-quinoline-3-carboxylic acid ethyl ester, DTXSID00352551, IXMRUGGFGJIANG-UHFFFAOYSA-N, HMS1611G15, ZINC140168, ACT10483, KS-00000HI7, ANW-61773, AKOS001627422, CCG-108126, MCULE-8159881811, AJ-12401, DS-11170, SC-37604, BIM-0031345.P001, AB0049435, AX8158978, TC-150518, 4-chloro-3-ethoxycarbonyl-7-methoxyquinoline, 7-methoxy-4-chloro-3-ethoxycarbonylquinoline, CS-0046187, FT-0646538, ST24047020, ST50322356, X-3151, 156E855, Ethyl 4-chloro-7-methoxy-quinoline-3-carboxylate, SR-01000453171, SR-01000453171-1, AR-1I9210, CID728976, ZINC00140168, ACN-044736, 184357-44-6, 7801-32-3,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.051g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	265.693g/mol
Monoisotopic Mass	265.051g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	48.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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