5,7-dibromo-1H-indazole

• ChemBase ID: 812431
• Molecular Formular: C7H4Br2N2
• Molecular Mass: 275.92806
• Monoisotopic Mass: 273.87412214
• SMILES: c1n[nH]c2c(cc(cc12)Br)Br
• Canonical SMILES: Brc1cc(Br)c2c(c1)cn[nH]2
• InChI: InChI=1S/C7H4Br2N2/c8-5-1-4-3-10-11-7(4)6(9)2-5/h1-3H,(H,10,11)
• InChIKey: SBDPXXDRYPLLKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dibromo-1H-indazole
• IUPAC Traditional name: 5,7-dibromo-1H-indazole
• Synonyms: 5,7-DIBROMO-1H-INDAZOLE

Database IDs

• CAS Number: 50477-28-6

CALCULATED PROPERTIES

• Acid pKa: 10.364659
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8337908
• LogD (pH = 7.4): 2.8333533
• Log P: 2.833813
• Molar Refractivity: 51.3187 cm^3
• Polarizability: 20.3823 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%