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Home Carboxys 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-quinolinecarboxylic Acid

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

CAS No.:
154093-72-8
Catalog Number:
AG00ABTT
Molecular Formula:
C13H9F2NO4
Molecular Weight:
281.2117
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Product Description
Catalog Number:
AG00ABTT
Chemical Name:
1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-quinolinecarboxylic Acid
CAS Number:
154093-72-8
Molecular Formula:
C13H9F2NO4
Molecular Weight:
281.2117
MDL Number:
MFCD25973506
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
SMILES:
OC(=O)c1cn(C2CC2)c2c(c1=O)cc(c(c2O)F)F
Properties
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  
Literature
Title Journal
Structural identification and characterization of impurities in moxifloxacin. Journal of pharmaceutical and biomedical analysis 20040310
Properties