2-(2-bromoethoxy)-1,4-dichlorobenzene

• ChemBase ID: 249319
• Molecular Formular: C8H7BrCl2O
• Molecular Mass: 269.95058
• Monoisotopic Mass: 267.9057322
• SMILES: c1(cc(ccc1Cl)Cl)OCCBr
• Canonical SMILES: Clc1ccc(cc1OCCBr)Cl
• InChI: InChI=1S/C8H7BrCl2O/c9-3-4-12-8-5-6(10)1-2-7(8)11/h1-2,5H,3-4H2
• InChIKey: JFOWYGCPBNNSHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromoethoxy)-1,4-dichlorobenzene
• IUPAC Traditional name: 2-(2-bromoethoxy)-1,4-dichlorobenzene
• Synonyms: 2-(2-bromoethoxy)-1,4-dichlorobenzene

Database IDs

• CAS Number: 85262-50-6
• MDL Number: MFCD02030849
• PubChem SID: 164305229
• PubChem CID: 4962276

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: 21.342049 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 57 - 59°C
• Hydrophobicity(logP): 4.178

Product Information

• Purity: 95%