1-(2-bromoethoxy)-2-chloro-4-fluorobenzene

• ChemBase ID: 246099
• Molecular Formular: C8H7BrClFO
• Molecular Mass: 253.4959832
• Monoisotopic Mass: 251.93528274
• SMILES: c1(cc(ccc1OCCBr)F)Cl
• Canonical SMILES: BrCCOc1ccc(cc1Cl)F
• InChI: InChI=1S/C8H7BrClFO/c9-3-4-12-8-2-1-6(11)5-7(8)10/h1-2,5H,3-4H2
• InChIKey: JZTVOMFVGHJJHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromoethoxy)-2-chloro-4-fluorobenzene
• IUPAC Traditional name: 1-(2-bromoethoxy)-2-chloro-4-fluorobenzene
• Synonyms: 1-(2-bromoethoxy)-2-chloro-4-fluorobenzene

Database IDs

• MDL Number: MFCD12813775
• PubChem SID: 164302009
• PubChem CID: 60969846

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4123063
• LogD (pH = 7.4): 3.4123063
• Log P: 3.4123063
• Molar Refractivity: 49.8692 cm^3
• Polarizability: 19.22714 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.608

Product Information

• Purity: 95%