1-bromo-2-chloro-4-ethoxy-3-fluorobenzene

• ChemBase ID: 293101
• Molecular Formular: C8H7BrClFO
• Molecular Mass: 253.4959832
• Monoisotopic Mass: 251.93528274
• SMILES: Fc1c(Cl)c(Br)ccc1OCC
• Canonical SMILES: CCOc1ccc(c(c1F)Cl)Br
• InChI: InChI=1S/C8H7BrClFO/c1-2-12-6-4-3-5(9)7(10)8(6)11/h3-4H,2H2,1H3
• InChIKey: UDCBZSCKSHVCID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-chloro-4-ethoxy-3-fluorobenzene
• IUPAC Traditional name: 1-bromo-2-chloro-4-ethoxy-3-fluorobenzene
• Synonyms: 1-Bromo-2-chloro-4-ethoxy-3-fluorobenzene

Database IDs

• CAS Number: 909122-17-4
• MDL Number: MFCD19440929
• PubChem SID: 180678632
• PubChem CID: 53414983

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6878817
• LogD (pH = 7.4): 3.6878817
• Log P: 3.6878817
• Molar Refractivity: 49.9138 cm^3
• Polarizability: 19.332527 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%