7-chloro-1H-indazol-6-ol

• ChemBase ID: 798932
• Molecular Formular: C7H5ClN2O
• Molecular Mass: 168.5804
• Monoisotopic Mass: 168.00904047
• SMILES: c1n[nH]c2c(c(ccc12)O)Cl
• Canonical SMILES: Oc1ccc2c(c1Cl)[nH]nc2
• InChI: InChI=1S/C7H5ClN2O/c8-6-5(11)2-1-4-3-9-10-7(4)6/h1-3,11H,(H,9,10)
• InChIKey: VEKROWQEXHUPDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-1H-indazol-6-ol
• IUPAC Traditional name: 7-chloro-1H-indazol-6-ol
• Synonyms: 7-CHLORO-1H-INDAZOL-6-OL

Database IDs

• CAS Number: 705927-38-4

CALCULATED PROPERTIES

• Acid pKa: 7.4102244
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5914884
• LogD (pH = 7.4): 1.304007
• Log P: 1.5967871
• Molar Refractivity: 42.8588 cm^3
• Polarizability: 17.14814 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%