1-(2-bromoethoxy)-3-chlorobenzene

• ChemBase ID: 15785
• Molecular Formular: C8H8BrClO
• Molecular Mass: 235.50552
• Monoisotopic Mass: 233.94470456
• SMILES: c1cc(cc(c1)OCCBr)Cl
• Canonical SMILES: BrCCOc1cccc(c1)Cl
• InChI: InChI=1S/C8H8BrClO/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6H,4-5H2
• InChIKey: FUQNMWDFNCBVOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromoethoxy)-3-chlorobenzene
• IUPAC Traditional name: 1-(2-bromoethoxy)-3-chlorobenzene
• Synonyms: 1-(2-Bromoethoxy)-3-chlorobenzene

Database IDs

• CAS Number: 6487-84-9
• MDL Number: MFCD02030630
• PubChem SID: 160979092
• PubChem CID: 2507720

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2696044
• LogD (pH = 7.4): 3.2696044
• Log P: 3.2696044
• Molar Refractivity: 49.6528 cm^3
• Polarizability: 19.344172 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.646

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%