chempirical

2-Chloroquinazoline

C8H5ClN2CAS 6141-13-5164.59 g/mol

Open in Covalent MOL file
NNCl
Aryl halide

Properties

Molecular formula
C8H5ClN2
Molar mass
164.59 g/mol
Exact mass
164.0141 Da
logP
2.28Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6141-13-5
SMILES
C1=CC=C2C(=C1)C=NC(=N2)Cl
InChIKey
WMPTYRGXBUYONY-UHFFFAOYSA-N
InChI
InChI=1S/C8H5ClN2/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H

Weigh it out

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

Work with 2-Chloroquinazoline

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

6-Bromo-2-chloroquinazoline882672-05-153 % similar 7-Bromo-2-chloroquinazoline953039-66-253 % similar 8-Bromo-2-chloroquinazoline956100-63-352 % similar 2-Chloroquinoline612-62-448 % similar Acridine260-94-646 % similar 3-Chloroquinoline612-59-945 % similar 3-Chloroisoquinoline19493-45-945 % similar Phenanthridine229-87-845 % similar

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

Same formula

2-Chloroquinoxaline1448-87-9 4-Chloro-quinazoline5190-68-1 6-Chloroquinoxaline5448-43-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook