AG00065V

101987-89-7 | 8-Chloro-1-Cyclopropyl-6,7-Difluoro-4-Oxo-1,4-Dihydroquinoline-3-Carboxylic Acid

AG00065V

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CAS Number	101987-89-7
Catalog Number	AG00065V(AGN-PC-0OR4SZ)
Chemical Name	8-Chloro-1-Cyclopropyl-6,7-Difluoro-4-Oxo-1,4-Dihydroquinoline-3-Carboxylic Acid
IUPAC Name	8-chloro-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylic acid
InChI	InChI=1S/C13H8ClF2NO3/c14-9-10(16)8(15)3-6-11(9)17(5-1-2-5)4-7(12(6)18)13(19)20/h3-5H,1-2H2,(H,19,20)
InChI Key	ZHFGWIOLVRSZNQ-UHFFFAOYSA-N
MDL Number	MFCD08706388
Molecular Formula	C13H8ClF2NO3
Molecular Weight	299.6573
SMILES	O=C(C1=CN(C2CC2)C3=C(C=C(F)C(F)=C3Cl)C1=O)O
Synonyms	101987-89-7, 8-Chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-Quinolinecarboxylic acid, 3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-, ZHFGWIOLVRSZNQ-UHFFFAOYSA-N, SCHEMBL500386, DTXSID10431523, MFCD08706388, ZINC33977323, AKOS016015125, SB18241, AC-25533, AJ-86552, AX8222326, DB-058739, FT-0713831, ST24045774, J-519416, 1-cyclopropyl-6,7-difluoro-8-chloro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid, 1cyclopropyl-6,7-difluoro-8-chloro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid, 8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinoline carboxylic acid, 8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylicacid, 8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-quinolin-3-carboxylic acid, 8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid, CID9835941, 8-chloro-1-cyclopropyl-6,7-difluoro-4-oxo-quinoline-3-carboxylic Acid, 8-Chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid,

Complexity	494
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	299.016g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	299.658g/mol
Monoisotopic Mass	299.016g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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