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144298-26-0 | 3-Quinolinecarboxylic acid, 6,7-difluoro-1,4-dihydro-8-methyl-4-oxo-
CAS No: 144298-26-0 Catalog No: AG001J9A MDL No:
Product Description
Catalog Number:
AG001J9A
Chemical Name:
3-Quinolinecarboxylic acid, 6,7-difluoro-1,4-dihydro-8-methyl-4-oxo-
CAS Number:
144298-26-0
Molecular Formula:
C11H7F2NO3
Molecular Weight:
239.1750
IUPAC Name:
6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C11H7F2NO3/c1-4-8(13)7(12)2-5-9(4)14-3-6(10(5)15)11(16)17/h2-3H,1H3,(H,14,15)(H,16,17)
InChI Key:
QFIIZFACMKBIKQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c(c1=O)cc(c(c2C)F)F
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.178g/mol
Monoisotopic Mass:
239.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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