AG00IIQN

951006-39-6 | Ethyl 6-iodo-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate

AG00IIQN

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CAS Number	951006-39-6
Catalog Number	AG00IIQN(AGN-PC-0WAI7M)
Chemical Name	Ethyl 6-iodo-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
IUPAC Name	ethyl 6-iodo-8-methyl-4-oxo-1H-quinoline-3-carboxylate
InChI	InChI=1S/C13H12INO3/c1-3-18-13(17)10-6-15-11-7(2)4-8(14)5-9(11)12(10)16/h4-6H,3H2,1-2H3,(H,15,16)
InChI Key	BHLKSAHVKKYWON-UHFFFAOYSA-N
MDL Number	MFCD12827793
Molecular Formula	C13H12INO3
Molecular Weight	357.1437
SMILES	CCOC(=O)C1=CNC2=C(C=C(I)C=C2C)C1=O
Synonyms	951006-39-6, Ethyl 6-iodo-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate, ethyl 4-hydroxy-6-iodo-8-methylquinoline-3-carboxylate, Ethyl 6-iodo-8-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate, Ethyl 1,4-dihydro-6-iodo-8-methyl-4-oxoquinoline-3-carboxylate, C13H12INO3, SCHEMBL5323382, CTK6F5693, DTXSID40670625, CS-M0301, ethyl6-iodo-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate, KS-00001E1R, ZX-AT012990, 6339AC, ANW-55124, MFCD12827793, ZINC40564533, AKOS005072969, GD-0084, OR18554, RP16956, ethyliodomethyloxodihydroquinolinecarboxylate, AJ-103463, AX8202114, J-521199, S14-2232, ethyl 6-iodo-8-methyl-4-oxo-1H-quinoline-3-carboxylate, N/A,

Complexity	394
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	356.986g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	357.147g/mol
Monoisotopic Mass	356.986g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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