5,7-dimethoxy-1H-indazole

• ChemBase ID: 803511
• Molecular Formular: C9H10N2O2
• Molecular Mass: 178.1879
• Monoisotopic Mass: 178.07422757
• SMILES: c1n[nH]c2c(cc(cc12)OC)OC
• Canonical SMILES: COc1cc(OC)c2c(c1)cn[nH]2
• InChI: InChI=1S/C9H10N2O2/c1-12-7-3-6-5-10-11-9(6)8(4-7)13-2/h3-5H,1-2H3,(H,10,11)
• InChIKey: BJJHXERXKPGMDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethoxy-1H-indazole
• IUPAC Traditional name: 5,7-dimethoxy-1H-indazole
• Synonyms: 5,7-DIMETHOXY-1H-INDAZOLE

Database IDs

• CAS Number: 165072-86-6

CALCULATED PROPERTIES

• Acid pKa: 10.444368
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.98081756
• LogD (pH = 7.4): 0.980581
• Log P: 0.98096514
• Molar Refractivity: 48.9995 cm^3
• Polarizability: 19.673456 Å^3
• Polar Surface Area: 47.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%