8-bromoquinazoline

• ChemBase ID: 287781
• Molecular Formular: C8H5BrN2
• Molecular Mass: 209.0427
• Monoisotopic Mass: 207.96361017
• SMILES: Brc1cccc2cncnc12
• Canonical SMILES: Brc1cccc2c1ncnc2
• InChI: InChI=1S/C8H5BrN2/c9-7-3-1-2-6-4-10-5-11-8(6)7/h1-5H
• InChIKey: UXVYREUIHBIBKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromoquinazoline
• IUPAC Traditional name: 8-bromoquinazoline
• Synonyms: 8-Bromoquinazoline

Database IDs

• CAS Number: 1123169-41-4
• MDL Number: MFCD11858521
• PubChem SID: 180673312
• PubChem CID: 18317814

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1938078
• LogD (pH = 7.4): 2.193815
• Log P: 2.1938152
• Molar Refractivity: 46.4233 cm^3
• Polarizability: 18.771559 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%