6-bromo-2,4-dichloroquinazoline

• ChemBase ID: 63448
• Molecular Formular: C8H3BrCl2N2
• Molecular Mass: 277.93282
• Monoisotopic Mass: 275.88566547
• SMILES: c12nc(Cl)nc(Cl)c1cc(Br)cc2
• Canonical SMILES: Brc1ccc2c(c1)c(Cl)nc(n2)Cl
• InChI: InChI=1S/C8H3BrCl2N2/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H
• InChIKey: LBAYOWRVZAKPLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2,4-dichloroquinazoline
• IUPAC Traditional name: 6-bromo-2,4-dichloroquinazoline
• Synonyms: 6-Bromo-2,4-dichloroquinazoline

Database IDs

• CAS Number: 102393-82-8
• MDL Number: MFCD09744007
• PubChem SID: 162029187
• PubChem CID: 10107568

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: 22.862478 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 98%