Cas no 130228-59-0 (Methyl 5-bromo-3-hydroxythiophene-2-carboxylate)

Methyl 5-bromo-3-hydroxythiophene-2-carboxylate structure
130228-59-0 structure
Product Name:Methyl 5-bromo-3-hydroxythiophene-2-carboxylate
CAS No:130228-59-0
MF:C6H5BrO3S
MW:237.071099996567
CID:2144935
Update Time:2023-08-04

Methyl 5-bromo-3-hydroxythiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 5-bromo-3-hydroxy-thiophene-2-carboxylic acid methyl ester
    • Methyl 5-bromo-3-hydroxythiophene-2-carboxylate
    • SFPFHIBNOZIZNQ-UHFFFAOYSA-N
    • Inchi: 1S/C6H5BrO3S/c1-10-6(9)5-3(8)2-4(7)11-5/h2,8H,1H3
    • InChI Key: SFPFHIBNOZIZNQ-UHFFFAOYSA-N
    • SMILES: BrC1=CC(=C(C(=O)OC)S1)O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 164
  • Topological Polar Surface Area: 74.8

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