2-bromonaphthalen-1-ol

• ChemBase ID: 294230
• Molecular Formular: C10H7BrO
• Molecular Mass: 223.06598
• Monoisotopic Mass: 221.96802684
• SMILES: Oc1c(Br)ccc2c1cccc2
• Canonical SMILES: Brc1ccc2c(c1O)cccc2
• InChI: InChI=1S/C10H7BrO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,12H
• InChIKey: LOHOSHDZQVKDPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromonaphthalen-1-ol
• IUPAC Traditional name: 2-bromonaphthalen-1-ol
• Synonyms: 2-Bromonaphthalen-1-ol

Database IDs

• CAS Number: 771-15-3
• PubChem SID: 180679761
• PubChem CID: 150849

CALCULATED PROPERTIES

• Acid pKa: 7.7550983
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.42552
• LogD (pH = 7.4): 3.2704613
• Log P: 3.4279099
• Molar Refractivity: 52.1119 cm^3
• Polarizability: 21.115213 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%