4-fluoro-1H-indol-5-ol

• ChemBase ID: 96852
• Molecular Formular: C8H6FNO
• Molecular Mass: 151.1377432
• Monoisotopic Mass: 151.04334204
• SMILES: [nH]1c2c(c(c(cc2)O)F)cc1
• Canonical SMILES: Oc1ccc2c(c1F)cc[nH]2
• InChI: InChI=1S/C8H6FNO/c9-8-5-3-4-10-6(5)1-2-7(8)11/h1-4,10-11H
• InChIKey: KYZNICPMZHBROC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-1H-indol-5-ol
• IUPAC Traditional name: 4-fluoro-1H-indol-5-ol
• Synonyms: 4-FLUORO-5-HYDROXYINDOLE; 4-Fluoro-1H-indol-5-ol; 4-Fluoro-5-hydroxy-1H-indole

Database IDs

• CAS Number: 288386-04-9
• MDL Number: MFCD07368139
• PubChem SID: 162083496
• PubChem CID: 22030553

CALCULATED PROPERTIES

• Acid pKa: 7.8828673
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.9093643
• LogD (pH = 7.4): 1.7887993
• Log P: 1.9111444
• Molar Refractivity: 39.3418 cm^3
• Polarizability: 15.785054 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Keep Cold/Store under Argon/Light Sensitive

Product Information

• Purity: 98%