2-methyl-2H-indazole

• ChemBase ID: 291077
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: Cn1nc2ccccc2c1
• Canonical SMILES: Cn1cc2c(n1)cccc2
• InChI: InChI=1S/C8H8N2/c1-10-6-7-4-2-3-5-8(7)9-10/h2-6H,1H3
• InChIKey: OAZHXZJUWHKFMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2H-indazole
• IUPAC Traditional name: 2-methylindazole
• Synonyms: 2-Methyl-2H-indazole

Database IDs

• CAS Number: 4838-00-0
• PubChem SID: 180676608
• PubChem CID: 138364

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7764132
• LogD (pH = 7.4): 1.7764328
• Log P: 1.776433
• Molar Refractivity: 51.0396 cm^3
• Polarizability: 16.467537 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%