1-(3-bromopropoxy)-3-methoxybenzene

• ChemBase ID: 310730
• Molecular Formular: C10H13BrO2
• Molecular Mass: 245.11302
• Monoisotopic Mass: 244.00989166
• SMILES: c1c(OC)cccc1OCCCBr
• Canonical SMILES: BrCCCOc1cccc(c1)OC
• InChI: InChI=1S/C10H13BrO2/c1-12-9-4-2-5-10(8-9)13-7-3-6-11/h2,4-5,8H,3,6-7H2,1H3
• InChIKey: KWEIDOLHJXLAKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-bromopropoxy)-3-methoxybenzene
• IUPAC Traditional name: 1-(3-bromopropoxy)-3-methoxybenzene
• Synonyms: 1-(3-bromopropoxy)-3-methoxybenzene

Database IDs

• CAS Number: 3245-40-7
• MDL Number: MFCD00596670

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5678482
• LogD (pH = 7.4): 2.5678482
• Log P: 2.5678482
• Molar Refractivity: 56.1766 cm^3
• Polarizability: 21.74854 Å^3
• Polar Surface Area: 18.46 Å^2