1-(2-bromoethoxy)-3,5-dichlorobenzene

• ChemBase ID: 278904
• Molecular Formular: C8H7BrCl2O
• Molecular Mass: 269.95058
• Monoisotopic Mass: 267.9057322
• SMILES: c1(cc(cc(c1)OCCBr)Cl)Cl
• Canonical SMILES: BrCCOc1cc(Cl)cc(c1)Cl
• InChI: InChI=1S/C8H7BrCl2O/c9-1-2-12-8-4-6(10)3-7(11)5-8/h3-5H,1-2H2
• InChIKey: VSJVOSZFQCWPSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromoethoxy)-3,5-dichlorobenzene
• IUPAC Traditional name: 1-(2-bromoethoxy)-3,5-dichlorobenzene
• Synonyms: 1-(2-bromoethoxy)-3,5-dichlorobenzene

Database IDs

• MDL Number: MFCD12093630
• PubChem SID: 164334814
• PubChem CID: 22246776

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8736491
• LogD (pH = 7.4): 3.8736491
• Log P: 3.8736491
• Molar Refractivity: 54.4576 cm^3
• Polarizability: 21.33198 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.408

Product Information

• Purity: 95%