Cas no 1389313-67-0 (Methyl 5-Bromo-3-iodo-2-thiophenecarboxylate)

Methyl 5-Bromo-3-iodo-2-thiophenecarboxylate structure
1389313-67-0 structure
Product Name:Methyl 5-Bromo-3-iodo-2-thiophenecarboxylate
CAS No:1389313-67-0
MF:C6H4BrIO2S
MW:346.968232154846
CID:3160973
PubChem ID:66570501
Update Time:2025-04-21

Methyl 5-Bromo-3-iodo-2-thiophenecarboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-Bromo-3-iodo-2-thiophenecarboxylate
    • Methyl5-Bromo-3-iodo-2-thiophenecarboxylate
    • 1389313-67-0
    • MDL: MFCD22380016
    • Inchi: 1S/C6H4BrIO2S/c1-10-6(9)5-3(8)2-4(7)11-5/h2H,1H3
    • InChI Key: RUCGHVXFPJVDHB-UHFFFAOYSA-N
    • SMILES: IC1C=C(SC=1C(=O)OC)Br

Computed Properties

  • Exact Mass: 345.81601Da
  • Monoisotopic Mass: 345.81601Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 167
  • 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: 3.5
  • Topological Polar Surface Area: 54.5?2
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