4-Chloro-7-fluoro-6-nitroquinazoline

C₈H₃ClFN₃O₂CAS 162012-70-6227.58 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₈H₃ClFN₃O₂
Molar mass: 227.58 g/mol
Exact mass: 226.9898 Da
logP: 2.33Crippen estimate
Polar surface area: 68.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

162012-70-6

SMILES

C1=C2C(=CC(=C1[N+](=O)[O-])F)N=CN=C2Cl

InChIKey

UYQMNEZWVKRWMS-UHFFFAOYSA-N

InChI

InChI=1S/C8H3ClFN3O2/c9-8-4-1-7(13(14)15)5(10)2-6(4)11-3-12-8/h1-3H

Weigh it out

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

Names and synonyms

1 names

4-Chloro-7-fluoro-6-nitro-quinazoline

Work with 4-Chloro-7-fluoro-6-nitroquinazoline

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-methoxy-6-nitroquinazoline55496-69-063 % similar N-(3-Chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine162012-67-158 % similar 4-Chloro-6-nitroquinazoline19815-16-857 % similar 7-Fluoro-6-nitroquinazolin-4(1H)-one162012-69-355 % similar 1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-851 % similar 1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-150 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-450 % similar 7-Chloro-6-nitro-4-quinazolinol53449-14-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook