Cas no 55171-62-5 (1,3-Benzodioxole-5-carbonyl chloride, 6-bromo-)

1,3-Benzodioxole-5-carbonyl chloride, 6-bromo- structure
55171-62-5 structure
Product Name:1,3-Benzodioxole-5-carbonyl chloride, 6-bromo-
CAS No:55171-62-5
MF:C8H4BrClO3
MW:263.472560882568
CID:352663
PubChem ID:10912357
Update Time:2025-04-19

1,3-Benzodioxole-5-carbonyl chloride, 6-bromo- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzodioxole-5-carbonyl chloride, 6-bromo-
    • 6-bromo-1,3-benzodioxole-5-carbonyl chloride
    • 6-bromobenzo[d][1,3]dioxole-5-carbonyl chloride
    • 55171-62-5
    • DTXSID30448153
    • SCHEMBL11832759
    • Inchi: 1S/C8H4BrClO3/c9-5-2-7-6(12-3-13-7)1-4(5)8(10)11/h1-2H,3H2
    • InChI Key: RZGAENGFJFRMLS-UHFFFAOYSA-N
    • SMILES: BrC1=CC2=C(C=C1C(=O)Cl)OCO2

Computed Properties

  • Exact Mass: 261.90322
  • Monoisotopic Mass: 261.90323g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 223
  • 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: 2.9
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53
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