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Home > Fluorides > 192570-33-5
192570-33-5 | 5-Fluoroquinazoline-2,4(1H,3H)-dione
CAS No: 192570-33-5 Catalog No: AG003MRT MDL No:MFCD09954841
Product Description
Catalog Number:
AG003MRT
Chemical Name:
5-Fluoroquinazoline-2,4(1H,3H)-dione
CAS Number:
192570-33-5
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
MDL Number:
MFCD09954841
IUPAC Name:
5-fluoro-1H-quinazoline-2,4-dione
InChI:
InChI=1S/C8H5FN2O2/c9-4-2-1-3-5-6(4)7(12)11-8(13)10-5/h1-3H,(H2,10,11,12,13)
InChI Key:
WPPSJUCAPOKSHS-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2cccc(c2c(=O)[nH]1)F
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.138g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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