2-bromo-5-(hydroxymethyl)phenol

• ChemBase ID: 290010
• Molecular Formular: C7H7BrO2
• Molecular Mass: 203.03328
• Monoisotopic Mass: 201.96294146
• SMILES: Oc1cc(CO)ccc1Br
• Canonical SMILES: OCc1ccc(c(c1)O)Br
• InChI: InChI=1S/C7H7BrO2/c8-6-2-1-5(4-9)3-7(6)10/h1-3,9-10H,4H2
• InChIKey: JYYCVESONPFMEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-(hydroxymethyl)phenol
• IUPAC Traditional name: 2-bromo-5-(hydroxymethyl)phenol
• Synonyms: 2-Bromo-5-(hydroxymethyl)phenol

Database IDs

• CAS Number: 2737-19-1
• MDL Number: MFCD14705103
• PubChem SID: 180675541
• PubChem CID: 13551344

CALCULATED PROPERTIES

• Acid pKa: 7.996368
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6697102
• LogD (pH = 7.4): 1.5737784
• Log P: 1.6710833
• Molar Refractivity: 42.4776 cm^3
• Polarizability: 16.296606 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%