AG008NOU

80076-47-7 | 8,9-Difluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylic acid

AG008NOU

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CAS Number	80076-47-7
Catalog Number	AG008NOU(AGN-PC-0UG8KX)
Chemical Name	8,9-Difluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylic acid
IUPAC Name	7,8-difluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
InChI	InChI=1S/C14H11F2NO3/c1-6-2-3-7-11(16)10(15)4-8-12(7)17(6)5-9(13(8)18)14(19)20/h4-6H,2-3H2,1H3,(H,19,20)
InChI Key	XUROCEZEOCOWSX-UHFFFAOYSA-N
MDL Number	MFCD07772027
Molecular Formula	C14H11F2NO3
Molecular Weight	279.2388
SMILES	O=C(C1=CN2C3=C(C=C(F)C(F)=C3CCC2C)C1=O)O
Synonyms	80076-47-7, 8,9-Difluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylic acid, (+,-)-8,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[i,j]quinoline-2-carboxylic acid, AK-87367, 8,9-Difluoro-5-methyl-1-oxo-1,5,6,7-tetrahydro-pyrido[3,2,1-ij]quinoline-2-carboxylic acid, 8,9-Difluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid, 8,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid, SCHEMBL8083425, CTK3E8023, DTXSID60509448, BCP11384, KS-00000PU2, ANW-45811, MFCD07772027, AKOS015918194, AN-36451, AS-17600, AX8227402, TC-134556, FT-0653228, ST24024555, V0886, M-1397, 076D477, I14-8250, 1H,5H-Benzo[ij]quinolizine-2-carboxylicacid, 8,9-difluoro-6,7-dihydro-5-methyl-1-oxo-, 7,8-Difluoro-5,6-dihydro-4-methyl-1-oxo-4H-3a-aza-1H-phenalene-2-carboxylic acid, 8,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[i,j]quinoline-2-carboxylic acid, 8,9-difluoro-6,7-dihydro-5-methyl-1-oxo-1H,5H-Benzo[ij]quinolizine-2-carboxylic acid, C14H11F2NO3, ACN-031714, ,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid, 8,9-Difluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylicacid, 8,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic, 8,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylicacid,

Complexity	493
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	279.071g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	279.243g/mol
Monoisotopic Mass	279.071g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	1
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

Lot Number