2,6-dibromoquinazoline

• ChemBase ID: 66684
• Molecular Formular: C8H4Br2N2
• Molecular Mass: 287.93876
• Monoisotopic Mass: 285.87412214
• SMILES: n1c(ncc2cc(ccc12)Br)Br
• Canonical SMILES: Brc1ccc2c(c1)cnc(n2)Br
• InChI: InChI=1S/C8H4Br2N2/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-4H
• InChIKey: NAARTNANGRCYIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromoquinazoline
• IUPAC Traditional name: 2,6-dibromoquinazoline
• Synonyms: 2,6-Dibromoquinazoline

Database IDs

• CAS Number: 161425-75-8
• MDL Number: MFCD04114090
• PubChem SID: 162032421
• PubChem CID: 45789972

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2524183
• LogD (pH = 7.4): 3.2524183
• Log P: 3.2524183
• Molar Refractivity: 54.5208 cm^3
• Polarizability: 21.853971 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+%; 97%