Cas no 63279-48-1 (Propanoic acid, 3-[(4-bromo-1-naphthalenyl)sulfonyl]-)

Propanoic acid, 3-[(4-bromo-1-naphthalenyl)sulfonyl]- structure
63279-48-1 structure
Product Name:Propanoic acid, 3-[(4-bromo-1-naphthalenyl)sulfonyl]-
CAS No:63279-48-1
MF:C13H11BrO4S
MW:343.193042039871
CID:1649579
Update Time:2024-09-12

Propanoic acid, 3-[(4-bromo-1-naphthalenyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 3-[(4-bromo-1-naphthalenyl)sulfonyl]-
    • Inchi: 1S/C13H11BrO4S/c14-11-5-6-12(10-4-2-1-3-9(10)11)19(17,18)8-7-13(15)16/h1-6H,7-8H2,(H,15,16)
    • InChI Key: HWACCPIYLGIHHR-UHFFFAOYSA-N
    • SMILES: C(O)(=O)CCS(C1=C2C(C=CC=C2)=C(Br)C=C1)(=O)=O

Computed Properties

  • Exact Mass: 341.95613

Experimental Properties

  • Density: 1.640±0.06 g/cm3(Predicted)
  • Boiling Point: 579.9±50.0 °C(Predicted)
  • PSA: 71.44
  • pka: 3.69±0.10(Predicted)
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