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8-Methoxy Quinolonic Ethyl Ester

CAT: 1596-AR-M02331-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M02331-01Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112811-71-9
Synonyms
Moxifloxacin Related Compound 1; 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic Acid Ethyl Ester; Moxifloxacin Difluoro Methoxy Ethyl Ester
Molecular Formula
C16H15F2NO4
Molecular Weight
323.3
API Name
Moxifloxacin

Chemical Information

Moxifloxacin difluoro methoxy ethyl ester
CAS Number112811-71-9
PubChem CID10758239
IUPAC Nameethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
Molecular FormulaC16H15F2NO4
Molecular Weight323.29
XLogP2.9
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity534
SMILES
CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)OC)C3CC3
InChI
InChI=1S/C16H15F2NO4/c1-3-23-16(21)10-7-19(8-4-5-8)13-9(14(10)20)6-11(17)12(18)15(13)22-2/h6-8H,3-5H2,1-2H3
InChIKey
XPAOPAPDCRLMTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Moxifloxacin difluoro methoxy ethyl ester
CAS: 112811-71-9
CID: 10758239
Formula: C16H15F2NO4
MW: 323.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight323.29
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass323.09691428
Monoisotopic Mass323.09691428
Topological Polar Surface Area55.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity534
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