7-bromo-3-chloro-1H-indazole

• ChemBase ID: 810764
• Molecular Formular: C7H4BrClN2
• Molecular Mass: 231.47706
• Monoisotopic Mass: 229.92463782
• SMILES: c1(n[nH]c2c(cccc12)Br)Cl
• Canonical SMILES: Brc1cccc2c1[nH]nc2Cl
• InChI: InChI=1S/C7H4BrClN2/c8-5-3-1-2-4-6(5)10-11-7(4)9/h1-3H,(H,10,11)
• InChIKey: SXOKLXYCYCXCCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-3-chloro-1H-indazole
• IUPAC Traditional name: 7-bromo-3-chloro-1H-indazole
• Synonyms: 7-BROMO-3-CHLORO-1H-INDAZOLE

Database IDs

• CAS Number: 885271-75-0

CALCULATED PROPERTIES

• Acid pKa: 9.973901
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8892672
• LogD (pH = 7.4): 2.8881536
• Log P: 2.8892822
• Molar Refractivity: 49.562 cm^3
• Polarizability: 19.405722 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%