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876-90-4 | 4-Cinnolinol, 6-fluoro-
CAS No: 876-90-4 Catalog No: AG004GXD MDL No:
Product Description
Catalog Number:
AG004GXD
Chemical Name:
4-Cinnolinol, 6-fluoro-
CAS Number:
876-90-4
Molecular Formula:
C8H5FN2O
Molecular Weight:
164.1365
IUPAC Name:
6-fluoro-1H-cinnolin-4-one
InChI:
InChI=1S/C8H5FN2O/c9-5-1-2-7-6(3-5)8(12)4-10-11-7/h1-4H,(H,11,12)
InChI Key:
SPWDLJIYXFPDGC-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(O)cnn2
NSC Number:
66069
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.039g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.139g/mol
Monoisotopic Mass:
164.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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