6-chloro-4-iodo-1H-indazole

• ChemBase ID: 289182
• Molecular Formular: C7H4ClIN2
• Molecular Mass: 278.47753
• Monoisotopic Mass: 277.91077382
• SMILES: Clc1cc(I)c2cn[nH]c2c1
• Canonical SMILES: Clc1cc(I)c2c(c1)[nH]nc2
• InChI: InChI=1S/C7H4ClIN2/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,(H,10,11)
• InChIKey: CZQKFAYNSDDHKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-4-iodo-1H-indazole
• IUPAC Traditional name: 6-chloro-4-iodo-1H-indazole
• Synonyms: 6-Chloro-4-iodo-1H-indazole

Database IDs

• CAS Number: 885519-56-2
• MDL Number: MFCD07781383
• PubChem SID: 180674713
• PubChem CID: 24728131

CALCULATED PROPERTIES

• Acid pKa: 11.222003
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8292823
• LogD (pH = 7.4): 2.829233
• Log P: 2.8292968
• Molar Refractivity: 54.2404 cm^3
• Polarizability: 21.677792 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%