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CS-W001157 4
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3-Acetamido-5-boronobenzoic acid

  • CAS No. 108749-15-1

  • Cat. No. CS-0174289
  • Molecule weight222.99
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

3-Acetamido-5-boronobenzoic acid|CS-0174289

Structure of 108749-15-1

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General Information

  • CAS No. 108749-15-1
  • Cat. No. CS-0174289
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀BNO₅
  • Molecular Weight 222.99
  • Synonym(s) 3-Acetamido-5-Carboxybenzeneboronic Acid
  • SMILES CC(NC1=CC(C(O)=O)=CC(B(O)O)=C1)=O

Synthesis

  • Route1
    • (3-acetamido-5-(methoxycarbonyl)phenyl)boronic acid|CS-0179015
      1071959-03-9
    • ~%
    • 3-Acetamido-5-boronobenzoic acid|CS-0174289
      108749-15-1

    References

    • Journal of Medicinal Chemistry, , vol. 52, # 19 p. 6097 - 6106

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H319
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   106.86
  • LogP   -0.977
  • H_Acceptors   4
  • H_Donors   4
  • Rotatable_Bonds   3

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