6-bromo-4-chloro-1H-indazole

• ChemBase ID: 286955
• Molecular Formular: C7H4BrClN2
• Molecular Mass: 231.47706
• Monoisotopic Mass: 229.92463782
• SMILES: Clc1c2cn[nH]c2cc(Br)c1
• Canonical SMILES: Brc1cc(Cl)c2c(c1)[nH]nc2
• InChI: InChI=1S/C7H4BrClN2/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,(H,10,11)
• InChIKey: MOYPLQILACEGCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-4-chloro-1H-indazole
• IUPAC Traditional name: 6-bromo-4-chloro-1H-indazole
• Synonyms: 6-Bromo-4-chloro-1H-indazole

Database IDs

• CAS Number: 885518-99-0
• PubChem SID: 180672486
• PubChem CID: 24728098

CALCULATED PROPERTIES

• Acid pKa: 11.398262
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.669091
• LogD (pH = 7.4): 2.6690624
• Log P: 2.669105
• Molar Refractivity: 48.5007 cm^3
• Polarizability: 19.332272 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%