3-ethoxy-1H-indazole

• ChemBase ID: 292594
• Molecular Formular: C9H10N2O
• Molecular Mass: 162.1885
• Monoisotopic Mass: 162.07931295
• SMILES: CCOc1n[nH]c2ccccc12
• Canonical SMILES: CCOc1n[nH]c2c1cccc2
• InChI: InChI=1S/C9H10N2O/c1-2-12-9-7-5-3-4-6-8(7)10-11-9/h3-6H,2H2,1H3,(H,10,11)
• InChIKey: VGTSMARXFZTGCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-1H-indazole
• IUPAC Traditional name: 3-ethoxy-1H-indazole
• Synonyms: 3-Ethoxy-1H-indazole

Database IDs

• CAS Number: 88279-08-7
• PubChem SID: 180678125
• PubChem CID: 13143675

CALCULATED PROPERTIES

• Acid pKa: 13.643261
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0899
• LogD (pH = 7.4): 2.0899017
• Log P: 2.089902
• Molar Refractivity: 47.5984 cm^3
• Polarizability: 19.020315 Å^3
• Polar Surface Area: 37.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%