4-bromo-1H-indazol-6-amine

• ChemBase ID: 291889
• Molecular Formular: C7H6BrN3
• Molecular Mass: 212.04664
• Monoisotopic Mass: 210.97450921
• SMILES: Nc1cc(Br)c2cn[nH]c2c1
• Canonical SMILES: Nc1cc(Br)c2c(c1)[nH]nc2
• InChI: InChI=1S/C7H6BrN3/c8-6-1-4(9)2-7-5(6)3-10-11-7/h1-3H,9H2,(H,10,11)
• InChIKey: IXIYWFBIFWDMHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-1H-indazol-6-amine
• IUPAC Traditional name: 4-bromo-1H-indazol-6-amine
• Synonyms: 4-Bromo-1H-indazol-6-amine

Database IDs

• CAS Number: 885518-53-6
• PubChem SID: 180677420
• PubChem CID: 24728067

CALCULATED PROPERTIES

• Acid pKa: 14.000139
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2355107
• LogD (pH = 7.4): 1.2361264
• Log P: 1.2361344
• Molar Refractivity: 48.3963 cm^3
• Polarizability: 18.529217 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%