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1008780-80-0 | 3-Quinolinecarbonitrile,7-fluoro-1,4-dihydro-4-oxo-
CAS No: 1008780-80-0 Catalog No: AG000330 MDL No:
Product Description
Catalog Number:
AG000330
Chemical Name:
3-Quinolinecarbonitrile,7-fluoro-1,4-dihydro-4-oxo-
CAS Number:
1008780-80-0
Molecular Formula:
C10H5FN2O
Molecular Weight:
188.1579
IUPAC Name:
7-fluoro-4-oxo-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C10H5FN2O/c11-7-1-2-8-9(3-7)13-5-6(4-12)10(8)14/h1-3,5H,(H,13,14)
InChI Key:
JCGQIVMIQPTWGQ-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c2c(c1=O)ccc(c2)F
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.039g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.161g/mol
Monoisotopic Mass:
188.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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