Cas no 3540-49-6 (Butanoic acid, 4-bromo-, 2-ethoxyethyl ester)

Butanoic acid, 4-bromo-, 2-ethoxyethyl ester structure
3540-49-6 structure
Product Name:Butanoic acid, 4-bromo-, 2-ethoxyethyl ester
CAS No:3540-49-6
MF:C8H15BrO3
MW:239.106902360916
CID:292560
PubChem ID:71360905
Update Time:2025-04-19

Butanoic acid, 4-bromo-, 2-ethoxyethyl ester Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid, 4-bromo-, 2-ethoxyethyl ester
    • 2-ethoxyethyl 4-bromobutanoate
    • 3540-49-6
    • DTXSID70784668
    • Inchi: 1S/C8H15BrO3/c1-2-11-6-7-12-8(10)4-3-5-9/h2-7H2,1H3
    • InChI Key: XUBYOOALCDJYRC-UHFFFAOYSA-N
    • SMILES: BrCCCC(=O)OCCOCC

Computed Properties

  • Exact Mass: 238.02045
  • Monoisotopic Mass: 238.02046g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 8
  • Complexity: 117
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53
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