1-bromo-3-(methoxymethoxy)benzene

• ChemBase ID: 801383
• Molecular Formular: C8H9BrO2
• Molecular Mass: 217.05986
• Monoisotopic Mass: 215.97859153
• SMILES: c1(cc(ccc1)OCOC)Br
• Canonical SMILES: COCOc1cccc(c1)Br
• InChI: InChI=1S/C8H9BrO2/c1-10-6-11-8-4-2-3-7(9)5-8/h2-5H,6H2,1H3
• InChIKey: YFANLWQCURKNOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3-(methoxymethoxy)benzene
• IUPAC Traditional name: 1-bromo-3-(methoxymethoxy)benzene
• Synonyms: 1-BROMO-3-(METHOXYMETHOXY)BENZENE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6474526
• LogD (pH = 7.4): 2.6474526
• Log P: 2.6474526
• Molar Refractivity: 45.997 cm^3
• Polarizability: 18.228113 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%