4-bromo-1H-indazol-6-ol

• ChemBase ID: 289916
• Molecular Formular: C7H5BrN2O
• Molecular Mass: 213.0314
• Monoisotopic Mass: 211.95852479
• SMILES: Oc1cc(Br)c2cn[nH]c2c1
• Canonical SMILES: Oc1cc(Br)c2c(c1)[nH]nc2
• InChI: InChI=1S/C7H5BrN2O/c8-6-1-4(11)2-7-5(6)3-9-10-7/h1-3,11H,(H,9,10)
• InChIKey: AIEDVJFAFWXQQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-1H-indazol-6-ol
• IUPAC Traditional name: 4-bromo-1H-indazol-6-ol
• Synonyms: 4-Bromo-1H-indazol-6-ol

Database IDs

• CAS Number: 885518-75-2
• PubChem SID: 180675447
• PubChem CID: 24728085

CALCULATED PROPERTIES

• Acid pKa: 8.282259
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.760767
• LogD (pH = 7.4): 1.7083607
• Log P: 1.761495
• Molar Refractivity: 45.6768 cm^3
• Polarizability: 18.038662 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%