2,8-dichloroquinazoline

• ChemBase ID: 288112
• Molecular Formular: C8H4Cl2N2
• Molecular Mass: 199.03676
• Monoisotopic Mass: 197.9751535
• SMILES: Clc1nc2c(Cl)cccc2cn1
• Canonical SMILES: Clc1ncc2c(n1)c(Cl)ccc2
• InChI: InChI=1S/C8H4Cl2N2/c9-6-3-1-2-5-4-11-8(10)12-7(5)6/h1-4H
• InChIKey: JLCHUDPERPLJPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,8-dichloroquinazoline
• IUPAC Traditional name: 2,8-dichloroquinazoline
• Synonyms: 2,8-Dichloroquinazoline

Database IDs

• CAS Number: 67092-20-0
• MDL Number: MFCD13193682
• PubChem SID: 180673643
• PubChem CID: 12413930

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9376576
• LogD (pH = 7.4): 2.9376576
• Log P: 2.9376576
• Molar Refractivity: 49.1039 cm^3
• Polarizability: 19.93849 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%