4-bromo-1-ethyl-2-fluorobenzene

• ChemBase ID: 113045
• Molecular Formular: C8H8BrF
• Molecular Mass: 203.0515232
• Monoisotopic Mass: 201.97934048
• SMILES: c1(cc(ccc1CC)Br)F
• Canonical SMILES: CCc1ccc(cc1F)Br
• InChI: InChI=1S/C8H8BrF/c1-2-6-3-4-7(9)5-8(6)10/h3-5H,2H2,1H3
• InChIKey: DRYFVMRQRVFHOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-1-ethyl-2-fluorobenzene
• IUPAC Traditional name: 4-bromo-1-ethyl-2-fluorobenzene
• Synonyms: 4-bromo-1-ethyl-2-fluorobenzene

Database IDs

• PubChem SID: 162106857
• PubChem CID: 22641057

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8426905
• LogD (pH = 7.4): 3.8426905
• Log P: 3.8426905
• Molar Refractivity: 43.5394 cm^3
• Polarizability: 16.465624 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Product Information

• Purity: >95%