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101987-89-7 | 3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-
CAS No: 101987-89-7 Catalog No: AG00065V MDL No:MFCD08706388
Product Description
Catalog Number:
AG00065V
Chemical Name:
3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-
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
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
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