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Moxifloxacin Impurity 99

CAT: 1299-RM-M160299-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M160299-01Size:10 mg
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CAS Number
133492-64-5
Synonyms
2-carbamoyl-3,4,5,6-tetrafluorobenzoic acid
Molecular Formula
C8H3F4NO3
Molecular Weight
237.11
Target Alternative Name
Moxifloxacin
Product Name Synonym
2-carbamoyl-3,4,5,6-tetrafluorobenzoic acid

Chemical Information

Benzoic acid, 2-(aminocarbonyl)-3,4,5,6-tetrafluoro-
CAS Number133492-64-5
PubChem CID11746645
IUPAC Name2-carbamoyl-3,4,5,6-tetrafluorobenzoic acid
Molecular FormulaC8H3F4NO3
Molecular Weight237.11
XLogP0.7
Topological Polar Surface Area80.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity314
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)C(=O)O)C(=O)N
InChI
InChI=1S/C8H3F4NO3/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H2,13,14)(H,15,16)
InChIKey
IFSHMCBXCKPELF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzoic acid, 2-(aminocarbonyl)-3,4,5,6-tetrafluoro-
CAS: 133492-64-5
CID: 11746645
Formula: C8H3F4NO3
MW: 237.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight237.11
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass237.00490561
Monoisotopic Mass237.00490561
Topological Polar Surface Area80.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity314
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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