4-bromo-1,2-diethoxybenzene

• ChemBase ID: 257404
• Molecular Formular: C10H13BrO2
• Molecular Mass: 245.11302
• Monoisotopic Mass: 244.00989166
• SMILES: c1(cc(ccc1OCC)Br)OCC
• Canonical SMILES: CCOc1cc(Br)ccc1OCC
• InChI: InChI=1S/C10H13BrO2/c1-3-12-9-6-5-8(11)7-10(9)13-4-2/h5-7H,3-4H2,1-2H3
• InChIKey: HOUKULZGZUNDGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-1,2-diethoxybenzene
• IUPAC Traditional name: 4-bromo-1,2-diethoxybenzene
• Synonyms: 4-bromo-1,2-diethoxybenzene

Database IDs

• MDL Number: MFCD09937703
• PubChem SID: 164313314
• PubChem CID: 13087639

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.140272
• LogD (pH = 7.4): 3.140272
• Log P: 3.140272
• Molar Refractivity: 56.1044 cm^3
• Polarizability: 21.841858 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.793

Product Information

• Purity: 95%