4-Chloro-6-nitroquinazoline

C₈H₄ClN₃O₂CAS 19815-16-8209.59 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₈H₄ClN₃O₂
Molar mass: 209.59 g/mol
Exact mass: 208.9992 Da
logP: 2.19Crippen estimate
Polar surface area: 68.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

19815-16-8

SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=NC=N2)Cl

InChIKey

LZOSFEDULGODDH-UHFFFAOYSA-N

InChI

InChI=1S/C8H4ClN3O2/c9-8-6-3-5(12(13)14)1-2-7(6)10-4-11-8/h1-4H

Weigh it out

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

Work with 4-Chloro-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-fluoro-6-nitroquinazoline162012-70-657 % similar 4-Chloro-7-methoxy-6-nitroquinazoline55496-69-053 % similar 4,6-Dichloro-5-nitropyrimidine4316-93-251 % similar 3-Amino-5-nitro-2,1-benzisothiazole14346-19-150 % similar 2-Chloro-6-nitrobenzothiazole2407-11-650 % similar 6-Nitrobenzothiazole2942-06-550 % similar 6-Bromo-4-chloro-quinazoline38267-96-850 % similar 4-Chloro-6-iodoquinazoline98556-31-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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