7-bromo-2,4-dichloroquinazoline

• ChemBase ID: 288261
• Molecular Formular: C8H3BrCl2N2
• Molecular Mass: 277.93282
• Monoisotopic Mass: 275.88566547
• SMILES: Clc1c2ccc(Br)cc2nc(Cl)n1
• Canonical SMILES: Brc1ccc2c(c1)nc(nc2Cl)Cl
• InChI: InChI=1S/C8H3BrCl2N2/c9-4-1-2-5-6(3-4)12-8(11)13-7(5)10/h1-3H
• InChIKey: RDCSNKDVAPJWGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-2,4-dichloroquinazoline
• IUPAC Traditional name: 7-bromo-2,4-dichloroquinazoline
• Synonyms: 7-Bromo-2,4-dichloroquinazoline

Database IDs

• CAS Number: 959237-68-4
• PubChem SID: 180673792
• PubChem CID: 34176248

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9265873
• LogD (pH = 7.4): 3.9265873
• Log P: 3.9265873
• Molar Refractivity: 57.788 cm^3
• Polarizability: 22.862263 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%