5-(furan-2-yl)-1H-indazole

• ChemBase ID: 813010
• Molecular Formular: C11H8N2O
• Molecular Mass: 184.19402
• Monoisotopic Mass: 184.06366289
• SMILES: c1n[nH]c2ccc(cc12)c1occc1
• Canonical SMILES: c1coc(c1)c1ccc2c(c1)cn[nH]2
• InChI: InChI=1S/C11H8N2O/c1-2-11(14-5-1)8-3-4-10-9(6-8)7-12-13-10/h1-7H,(H,12,13)
• InChIKey: LAMFLSORFDHFFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(furan-2-yl)-1H-indazole
• IUPAC Traditional name: 5-(furan-2-yl)-1H-indazole
• Synonyms: 5-FURAN-2-YL-1H-INDAZOLE

Database IDs

• CAS Number: 885272-43-5

CALCULATED PROPERTIES

• Acid pKa: 11.581884
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0037603
• LogD (pH = 7.4): 2.0037515
• Log P: 2.0037796
• Molar Refractivity: 53.6002 cm^3
• Polarizability: 22.5367 Å^3
• Polar Surface Area: 41.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%