AG00ABTT

154093-72-8 | 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-quinolinecarboxylic Acid

AG00ABTT

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CAS Number	154093-72-8
Catalog Number	AG00ABTT(AGN-PC-0Q6NKJ)
Chemical Name	1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-quinolinecarboxylic Acid
IUPAC Name	1-cyclopropyl-6,7-difluoro-8-hydroxy-4-oxoquinoline-3-carboxylic acid
InChI	InChI=1S/C13H9F2NO4/c14-8-3-6-10(12(18)9(8)15)16(5-1-2-5)4-7(11(6)17)13(19)20/h3-5,18H,1-2H2,(H,19,20)
InChI Key	NTWOKQCCNHKEIU-UHFFFAOYSA-N
MDL Number	MFCD25973506
Molecular Formula	C13H9F2NO4
Molecular Weight	281.2117
SMILES	O=C(C1=CN(C2CC2)C3=C(C=C(F)C(F)=C3O)C1=O)O
Synonyms	154093-72-8, 1-Cyclopropyl-6,7-difluoro-8-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-quinolinecarboxylic Acid, Moxifloxacin impurity, SCHEMBL584841, KS-00000RAZ, DTXSID50470532, NTWOKQCCNHKEIU-UHFFFAOYSA-N, CC0054, MFCD25973506, ZINC38236336, AKOS016012715, Moxifloxacin Hydroxy Quinoline Impurity, AJ-94760, AK127260, AB0072335, AX8249051, FT-0665392, ST24037970, 1-cyclopropyl-6,7-difluoro-8-hydroxy-4-oxoquinoline-3-carboxylic acid, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-Quinoline-3-carboxylic acid, 1-cyclopropyl-6,7-difluoro-8-hydroxy-1,4-dihydro-oxoquinoline-3-carboxylic acid, 1-cyclopropyl-6,7-difluoro-8-hydroxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, CID11680737, 1-cyclopropyl-6,7-difluoro-8-hydroxy-4-oxo-quinoline-3-carboxylic Acid, 1-Cyclopropyl-6,7-difluoro-8-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylicacid, 1-Cyclopropyl-6-fluoro-8-hydroxy-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid,

Complexity	491
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	281.05g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	281.215g/mol
Monoisotopic Mass	281.05g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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