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101987-89-7,MFCD08706388
Catalog No.:AA000633
101987-89-7 | 8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
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250mg
97%
1 week  
$534.00   $374.00
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1g
97%
1 week  
$1,248.00   $874.00
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Technical Information
Catalog Number:
AA000633
Chemical Name:
8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
CAS Number:
101987-89-7
Molecular Formula:
C13H8ClF2NO3
Molecular Weight:
299.6573
MDL Number:
MFCD08706388
IUPAC Name:
8-chloro-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C13H8ClF2NO3/c14-9-10(16)8(15)3-6-11(9)17(5-1-2-5)4-7(12(6)18)13(19)20/h3-5H,1-2H2,(H,19,20)
InChI Key:
ZHFGWIOLVRSZNQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(C2CC2)c2c(c1=O)cc(c(c2Cl)F)F
Properties
Computed Properties
 
Complexity:
494  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.016g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
299.658g/mol
Monoisotopic Mass:
299.016g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Synonyms
 
101987-89-7 
8-Chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 
SB18241 
AC-25533 
AJ-86552 
AX8222326 
DB-058739 
FT-0713831 
ST24045774 
J-519416 
1-cyclopropyl-6,7-difluoro-8-chloro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid 
1cyclopropyl-6,7-difluoro-8-chloro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid 
8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-Quinolinecarboxylic acid 
8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinoline carboxylic acid 
8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylicacid 
8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-quinolin-3-carboxylic acid 
8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid 
CID9835941 
8-chloro-1-cyclopropyl-6,7-difluoro-4-oxo-quinoline-3-carboxylic Acid 
8-Chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid 
3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo- 
ZHFGWIOLVRSZNQ-UHFFFAOYSA-N 
SCHEMBL500386 
DTXSID10431523 
MFCD08706388 
ZINC33977323 
AKOS016015125 
Literature
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