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Home > Fluorides > 162012-69-3
162012-69-3 | 4(3H)-Quinazolinone, 7-fluoro-6-nitro-
CAS No: 162012-69-3 Catalog No: AG001SMN MDL No:MFCD08458874
Product Description
Catalog Number:
AG001SMN
Chemical Name:
4(3H)-Quinazolinone, 7-fluoro-6-nitro-
CAS Number:
162012-69-3
Molecular Formula:
C8H4FN3O3
Molecular Weight:
209.1341
MDL Number:
MFCD08458874
IUPAC Name:
7-fluoro-6-nitro-3H-quinazolin-4-one
InChI:
InChI=1S/C8H4FN3O3/c9-5-2-6-4(1-7(5)12(14)15)8(13)11-3-10-6/h1-3H,(H,10,11,13)
InChI Key:
VTUAEMSZEIGQRM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(=O)[nH]cnc2cc1F
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.024g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.136g/mol
Monoisotopic Mass:
209.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| 7-Fluoro-6-nitro-quinazolin-4(3H)-one. | Acta crystallographica. Section E, Structure reports online 20091201 |
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