Moxifloxacin impurity 2

CAT: 0127-PC1001723-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1001723-01Size:100 mg

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CAS Number

172426-88-9

MDL Number

MFCD09031421

Purity

98%

Smiles

O=C(C1=CN(C2CC2)C3=C(C=C(F)C(N)=C3OC)C1=O)O

Chemical Information

7-Amino-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

CAS Number	172426-88-9
PubChem CID	29927895
IUPAC Name	7-amino-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
Molecular Formula	C14H13FN2O4
Molecular Weight	292.26
XLogP	1.9
Topological Polar Surface Area	92.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	505

SMILES

COC1=C2C(=CC(=C1N)F)C(=O)C(=CN2C3CC3)C(=O)O

InChI

InChI=1S/C14H13FN2O4/c1-21-13-10(16)9(15)4-7-11(13)17(6-2-3-6)5-8(12(7)18)14(19)20/h4-6H,2-3,16H2,1H3,(H,19,20)

InChIKey

HFMKHBDEIOYPRL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 172426-88-9

CID: 29927895

Formula: C14H13FN2O4

MW: 292.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	292.26
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	292.08593506
Monoisotopic Mass	292.08593506
Topological Polar Surface Area	92.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	505
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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