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Home > Fluorides > 113817-56-4
113817-56-4 | 4(1H)-Quinolinone, 6-fluoro-7-(1-piperazinyl)-
CAS No: 113817-56-4 Catalog No: AG0009S3 MDL No:
Product Description
Catalog Number:
AG0009S3
Chemical Name:
4(1H)-Quinolinone, 6-fluoro-7-(1-piperazinyl)-
CAS Number:
113817-56-4
Molecular Formula:
C13H14FN3O
Molecular Weight:
247.2682
IUPAC Name:
6-fluoro-7-piperazin-1-yl-1H-quinolin-4-one
InChI:
InChI=1S/C13H14FN3O/c14-10-7-9-11(16-2-1-13(9)18)8-12(10)17-5-3-15-4-6-17/h1-2,7-8,15H,3-6H2,(H,16,18)
InChI Key:
BMQJANGORQOWEF-UHFFFAOYSA-N
SMILES:
Fc1cc2c(cc1N1CCNCC1)[nH]ccc2=O
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.112g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.273g/mol
Monoisotopic Mass:
247.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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