4-bromo-1H-indol-7-ol

• ChemBase ID: 289021
• Molecular Formular: C8H6BrNO
• Molecular Mass: 212.04334
• Monoisotopic Mass: 210.96327582
• SMILES: Oc1ccc(Br)c2c1[nH]cc2
• Canonical SMILES: Brc1ccc(c2c1cc[nH]2)O
• InChI: InChI=1S/C8H6BrNO/c9-6-1-2-7(11)8-5(6)3-4-10-8/h1-4,10-11H
• InChIKey: KBXCLTPQVXMQOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-1H-indol-7-ol
• IUPAC Traditional name: 4-bromo-1H-indol-7-ol
• Synonyms: 4-Bromo-1H-indol-7-ol

Database IDs

• CAS Number: 1167056-91-8
• MDL Number: MFCD12405097
• PubChem SID: 180674552
• PubChem CID: 46835541

CALCULATED PROPERTIES

• Polarizability: 18.869871 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 8.704702
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.5369258
• LogD (pH = 7.4): 2.5163152
• Log P: 2.5371952
• Molar Refractivity: 46.7482 cm^3

PROPERTIES

Product Information

• Purity: 95+%