7-Fluoro-6-nitroquinazolin-4(1H)-one

C₈H₄FN₃O₃CAS 162012-69-3209.14 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₈H₄FN₃O₃
Molar mass: 209.14 g/mol
Exact mass: 209.0237 Da
logP: 0.97Crippen estimate
Polar surface area: 88.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

162012-69-3

SMILES

C1=C2C(=CC(=C1[N+](=O)[O-])F)N=CNC2=O

InChIKey

VTUAEMSZEIGQRM-UHFFFAOYSA-N

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

7-Fluoro-6-nitro-4-hydroxyquinazoline

Work with 7-Fluoro-6-nitroquinazolin-4(1H)-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chloro-7-fluoro-6-nitroquinazoline162012-70-655 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-449 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-548 % similar N-(3-Chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine162012-67-144 % similar 1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-843 % similar 2,4-Difluoronitrobenzene446-35-543 % similar 6,7-Dimethoxy-3H-quinazolin-4-one13794-72-443 % similar 1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook