7-bromoquinazolin-4-amine

• ChemBase ID: 288467
• Molecular Formular: C8H6BrN3
• Molecular Mass: 224.05734
• Monoisotopic Mass: 222.97450921
• SMILES: Nc1c2ccc(Br)cc2ncn1
• Canonical SMILES: Brc1ccc2c(c1)ncnc2N
• InChI: InChI=1S/C8H6BrN3/c9-5-1-2-6-7(3-5)11-4-12-8(6)10/h1-4H,(H2,10,11,12)
• InChIKey: RTKSTBCHSICNLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromoquinazolin-4-amine
• IUPAC Traditional name: 7-bromoquinazolin-4-amine
• Synonyms: 7-Bromoquinazolin-4-amine

Database IDs

• CAS Number: 1123169-43-6
• PubChem SID: 180673998
• PubChem CID: 53408477

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9335434
• LogD (pH = 7.4): 1.9590119
• Log P: 1.9593468
• Molar Refractivity: 51.4372 cm^3
• Polarizability: 19.92026 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%