5-bromo-6-chloro-1H-indazole

• ChemBase ID: 293354
• Molecular Formular: C7H4BrClN2
• Molecular Mass: 231.47706
• Monoisotopic Mass: 229.92463782
• SMILES: Clc1cc2c(cc1Br)cn[nH]2
• Canonical SMILES: Brc1cc2cn[nH]c2cc1Cl
• InChI: InChI=1S/C7H4BrClN2/c8-5-1-4-3-10-11-7(4)2-6(5)9/h1-3H,(H,10,11)
• InChIKey: YDHLEEKDDBGPNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-6-chloro-1H-indazole
• IUPAC Traditional name: 5-bromo-6-chloro-1H-indazole
• Synonyms: 5-Bromo-6-chloro-1H-indazole

Database IDs

• CAS Number: 1260382-77-1
• PubChem SID: 180678885
• PubChem CID: 13337804

CALCULATED PROPERTIES

• Acid pKa: 13.2018795
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6690857
• LogD (pH = 7.4): 2.669104
• Log P: 2.669105
• Molar Refractivity: 48.5007 cm^3
• Polarizability: 19.335331 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%