4-chloro-2-ethoxy-1-fluorobenzene

• ChemBase ID: 100023
• Molecular Formular: C8H8ClFO
• Molecular Mass: 174.5999232
• Monoisotopic Mass: 174.02477078
• SMILES: O(c1c(ccc(c1)Cl)F)CC
• Canonical SMILES: CCOc1cc(Cl)ccc1F
• InChI: InChI=1S/C8H8ClFO/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2H2,1H3
• InChIKey: SYVFNABINSSJKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-ethoxy-1-fluorobenzene
• IUPAC Traditional name: 4-chloro-2-ethoxy-1-fluorobenzene
• Synonyms: 5-Chloro-2-fluorophenetole; 4-chloro-2-ethoxy-1-fluorobenzene

Database IDs

• CAS Number: 289039-34-5
• MDL Number: MFCD00672980
• PubChem SID: 162086250
• PubChem CID: 2773709

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9191291
• LogD (pH = 7.4): 2.9191291
• Log P: 2.9191291
• Molar Refractivity: 42.291 cm^3
• Polarizability: 16.273706 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%