7-bromo-1H-indazol-3-amine

• ChemBase ID: 288511
• Molecular Formular: C7H6BrN3
• Molecular Mass: 212.04664
• Monoisotopic Mass: 210.97450921
• SMILES: Nc1n[nH]c2c1cccc2Br
• Canonical SMILES: Brc1cccc2c1[nH]nc2N
• InChI: InChI=1S/C7H6BrN3/c8-5-3-1-2-4-6(5)10-11-7(4)9/h1-3H,(H3,9,10,11)
• InChIKey: ADBDLGMVAZJRKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-1H-indazol-3-amine
• IUPAC Traditional name: 7-bromo-1H-indazol-3-amine
• Synonyms: 7-Bromo-1H-indazol-3-amine

Database IDs

• CAS Number: 1234616-28-4
• PubChem SID: 180674042
• PubChem CID: 57345825

CALCULATED PROPERTIES

• Acid pKa: 14.4445305
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8295504
• LogD (pH = 7.4): 1.8305787
• Log P: 1.8305919
• Molar Refractivity: 48.7098 cm^3
• Polarizability: 18.530107 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%