AG006T76

94695-52-0 | 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

AG006T76

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CAS Number	94695-52-0
Catalog Number	AG006T76(AGN-PC-0W4A59)
Chemical Name	1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC Name	1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid
InChI	InChI=1S/C13H8F3NO3/c14-8-3-6-11(10(16)9(8)15)17(5-1-2-5)4-7(12(6)18)13(19)20/h3-5H,1-2H2,(H,19,20)
InChI Key	NMASXYCNDJMMFR-UHFFFAOYSA-N
MDL Number	MFCD01173812
Molecular Formula	C13H8F3NO3
Molecular Weight	283.2027
SMILES	O=C(C1=CN(C2CC2)C3=C(C=C(F)C(F)=C3F)C1=O)O
Synonyms	94695-52-0, 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, NMASXYCNDJMMFR-UHFFFAOYSA-N, 1-Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxoq, 1-CYCLOPROPYL-6,7,8-TRIFLUORO-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID, 1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid, 1-Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid, 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinoline carboxylic acid, AC1LBGP1, Oprea1_560856, SCHEMBL500719, CTK3I5929, KS-00000RLG, DTXSID00336679, ZINC5042955, BBL102846, MFCD01173812, STL556654, 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, AKOS022500043, AK313447, DS-11919, SC-91777, SY105842, AB0071733, CS-0036600, FT-0665407, MFCD01173812 (95%), SR-01000220575, SR-01000220575-1, 1-cyclopropyl-6,7,8-trifluoro-4-oxo-3-quinolinecarboxylic acid, 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-quinoline-3-carboxylic acid, 1-cyclopropyl-1,4-dihydro-4-oxo-6,7,8-trifluoroquinoline-3-carboxylic acid, 1-cyclopropyl-1,4-dihydro-6,7,8-trifluoro-4-oxo-3-quinolinecarboxylic acid, 1-Cyclopropyl-4-oxo-6,7,8-trifluoro-1,4-dihydroquinoline-3-carboxylic acid, 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid, 1-cyclopropyl-6,7,8-trifluoro1,4-dihydro-4-oxo-3-quinolinecarboxylic acid, 1-Cyclopropyl-1,4-dihydro-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic Acid, 1-cyclopropyl-6,7,8-trifluoro -1,4-dihydro-4-oxoquinoline-3-carboxylic acid, 1-cyclopropyl-6,7,8-trifluoro-1, 4-dihydro-4-oxo-quinoline-3-carboxylic acid, 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro -4-oxoquinoline-3-carboxylic acid, 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4- oxoquinoline-3-carboxylic acid, 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid, 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid #, 3- Quinolinecarboxylicacid,1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-, 3-Quinolinecarboxylicacid, 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-, 6,7,8-Trifluoro-1-cyclopropyl-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid, CID535414,

Complexity	491
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	283.046g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	283.206g/mol
Monoisotopic Mass	283.046g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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

Lot Number