chempirical

2,4,6-Trichloroquinazoline

C8H3Cl3N2CAS 20028-68-6233.48 g/mol

Open in Covalent MOL file
ClNClNCl
Aryl halide

Properties

Molecular formula
C8H3Cl3N2
Molar mass
233.48 g/mol
Exact mass
231.9362 Da
Melting point
131 °C
Boiling point
230–240 °C (at 15 Torr)
logP
3.59Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
20028-68-6
SMILES
Clc1ccc2nc(Cl)nc(Cl)c2c1
InChIKey
VUPOGEZMJNDSHI-UHFFFAOYSA-N
InChI
InChI=1S/C8H3Cl3N2/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H

Weigh it out

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

Names and synonyms

1 names
  • Quinazoline, 2,4,6-trichloro-

Work with 2,4,6-Trichloroquinazoline

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-2,4-dichloroquinazoline102393-82-863 % similar 2,4-Dichloro-6-methoxyquinazoline105763-77-757 % similar 2,4-Dichloroquinazoline607-68-157 % similar 7-Bromo-2,4-dichloroquinazoline959237-68-449 % similar 2,4-Dichloro-6,7-dimethoxyquinazoline27631-29-447 % similar 2,4,6,8-Tetrachloropyrimido[5,4-D]pyrimidine32980-71-543 % similar 5-Chloroisatoic anhydride4743-17-343 % similar 2,4-Dichlorothieno[2,3-D]pyrimidine18740-39-141 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook