7-fluoro-1H-indazole

• ChemBase ID: 65312
• Molecular Formular: C7H5FN2
• Molecular Mass: 136.1264032
• Monoisotopic Mass: 136.04367639
• SMILES: c1cc(c2c(c1)cn[nH]2)F
• Canonical SMILES: Fc1cccc2c1[nH]nc2
• InChI: InChI=1S/C7H5FN2/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,(H,9,10)
• InChIKey: FQNFMARSNKXCAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-1H-indazole
• IUPAC Traditional name: 7-fluoro-1H-indazole
• Synonyms: 7-Fluoro-1H-indazole

Database IDs

• CAS Number: 341-24-2
• MDL Number: MFCD09026976
• PubChem SID: 162031051
• PubChem CID: 24729247

CALCULATED PROPERTIES

• Acid pKa: 8.715185
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4387137
• LogD (pH = 7.4): 1.4189972
• Log P: 1.4390097
• Molar Refractivity: 36.2895 cm^3
• Polarizability: 14.290383 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%