4,6-dichloro-2-(4-chlorophenyl)quinazoline

• ChemBase ID: 812096
• Molecular Formular: C14H7Cl3N2
• Molecular Mass: 309.57778
• Monoisotopic Mass: 307.96748127
• SMILES: c1(ccc2nc(nc(c2c1)Cl)c1ccc(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(cc1)c1nc(Cl)c2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C14H7Cl3N2/c15-9-3-1-8(2-4-9)14-18-12-6-5-10(16)7-11(12)13(17)19-14/h1-7H
• InChIKey: GGCLIINKGZTANY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloro-2-(4-chlorophenyl)quinazoline
• IUPAC Traditional name: 4,6-dichloro-2-(4-chlorophenyl)quinazoline
• Synonyms: 4,6-DICHLORO-2-(4-CHLORO-PHENYL)-QUINAZOLINE

Database IDs

• CAS Number: 144924-32-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.772007
• LogD (pH = 7.4): 5.7720094
• Log P: 5.7720094
• Molar Refractivity: 89.6873 cm^3
• Polarizability: 31.991407 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%