7-bromo-4-chloroquinazoline

• ChemBase ID: 274850
• Molecular Formular: C8H4BrClN2
• Molecular Mass: 243.48776
• Monoisotopic Mass: 241.92463782
• SMILES: c12c(ncnc1Cl)cc(cc2)Br
• Canonical SMILES: Brc1ccc2c(c1)ncnc2Cl
• InChI: InChI=1S/C8H4BrClN2/c9-5-1-2-6-7(3-5)11-4-12-8(6)10/h1-4H
• InChIKey: VLZJBXYXSWZAJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-4-chloroquinazoline
• IUPAC Traditional name: 7-bromo-4-chloroquinazoline
• Synonyms: 7-bromo-4-chloroquinazoline

Database IDs

• CAS Number: 573675-55-5
• MDL Number: MFCD06657216
• PubChem SID: 164330760
• PubChem CID: 16780855

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.018035
• LogD (pH = 7.4): 3.018037
• Log P: 3.018037
• Molar Refractivity: 52.2894 cm^3
• Polarizability: 20.77828 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.696

Product Information

• Purity: 95%; 95+%; 98%