Cas no 224449-33-6 (ethyl 4-bromothiophene-3-carboxylate)

ethyl 4-bromothiophene-3-carboxylate structure
224449-33-6 structure
Product Name:ethyl 4-bromothiophene-3-carboxylate
CAS No:224449-33-6
MF:C7H7BrO2S
MW:235.098280191422
MDL:MFCD14584478
CID:2135355
PubChem ID:57455182
Update Time:2025-04-21

ethyl 4-bromothiophene-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 4-bromo-3-Thiophenecarboxylic acid ethyl ester
    • ethyl 4-bromothiophene-3-carboxylate
    • 224449-33-6
    • MFCD14584478
    • SB67043
    • BS-50654
    • CS-0151679
    • ethyl4-bromothiophene-3-carboxylate
    • AC-30517
    • 4-bromothiophene-3-carboxylic acid ethyl ester
    • SCHEMBL334772
    • LARLHLAYBCZHLV-UHFFFAOYSA-N
    • 4-bromo-thiophene-3-carboxylic acid ethyl ester
    • EN300-2910881
    • MDL: MFCD14584478
    • Inchi: 1S/C7H7BrO2S/c1-2-10-7(9)5-3-11-4-6(5)8/h3-4H,2H2,1H3
    • InChI Key: LARLHLAYBCZHLV-UHFFFAOYSA-N
    • SMILES: BrC1=CSC=C1C(=O)OCC

Computed Properties

  • Exact Mass: 233.93501g/mol
  • Monoisotopic Mass: 233.93501g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 151
  • 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: 2.5
  • Topological Polar Surface Area: 54.5?2

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