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Ofloxacin EP Impurity A

CAT: 1596-AR-L01538-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L01538-01Size:10 Units
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CAS Number
82419-35-0
Synonyms
10-fluoro-3-methyl-9- (4-methylpiperazin-1-yl) -7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;9,10-Difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid; Ofloxacin EP Impurity A
Molecular Formula
C13H9F2NO4
Molecular Weight
281.21
API Name
Levofloxacin

Chemical Information

8,9-Difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid
CAS Number82419-35-0
PubChem CID534278
IUPAC Name6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Molecular FormulaC13H9F2NO4
Molecular Weight281.21
XLogP2.1
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity495
SMILES
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2F)F)C(=O)O
InChI
InChI=1S/C13H9F2NO4/c1-5-4-20-12-9(15)8(14)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5H,4H2,1H3,(H,18,19)
InChIKey
NVKWWNNJFKZNJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8,9-Difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid
CAS: 82419-35-0
CID: 534278
Formula: C13H9F2NO4
MW: 281.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight281.21
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass281.04996409
Monoisotopic Mass281.04996409
Topological Polar Surface Area66.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity495
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes