6-bromo-2-chloroquinazoline

• ChemBase ID: 67024
• Molecular Formular: C8H4BrClN2
• Molecular Mass: 243.48776
• Monoisotopic Mass: 241.92463782
• SMILES: n1c(ncc2cc(ccc12)Br)Cl
• Canonical SMILES: Brc1ccc2c(c1)cnc(n2)Cl
• InChI: InChI=1S/C8H4BrClN2/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-4H
• InChIKey: NYQBZJFZEZEXFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-chloroquinazoline
• IUPAC Traditional name: 6-bromo-2-chloroquinazoline
• Synonyms: 6-Bromo-2-chloroquinazoline

Database IDs

• CAS Number: 882672-05-1
• MDL Number: MFCD09261000
• PubChem SID: 162032760
• PubChem CID: 17913559

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1023655
• LogD (pH = 7.4): 3.1023655
• Log P: 3.1023655
• Molar Refractivity: 51.9219 cm^3
• Polarizability: 20.828592 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+%; 98%