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Home > Fluorides > 1388603-92-6
1388603-92-6 | 4(3H)-Quinazolinone, 6,8-difluoro-
CAS No: 1388603-92-6 Catalog No: AG0019PJ MDL No:
Product Description
Catalog Number:
AG0019PJ
Chemical Name:
4(3H)-Quinazolinone, 6,8-difluoro-
CAS Number:
1388603-92-6
Molecular Formula:
C8H4F2N2O
Molecular Weight:
182.1270
IUPAC Name:
5,7-difluoro-3H-quinazolin-4-one
InChI:
InChI=1S/C8H4F2N2O/c9-4-1-5(10)7-6(2-4)11-3-12-8(7)13/h1-3H,(H,11,12,13)
InChI Key:
DIQRRDUOMDYXDK-UHFFFAOYSA-N
SMILES:
Fc1cc(F)c2c(c1)c(=O)[nH]cn2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.13g/mol
Monoisotopic Mass:
182.029g/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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