Substance Profile

4-Methyl-benzoyl isocyanate

  • Molecular Formula: C9H7NO2
  • Element System: C-H-N-O
  • CAS-RN: 5843-46-9, 82125-96-0
  • InChI: InChI=1S/C9H7NO2/c1-7-2-4-8(5-3-7)9(12)10-6-11/h2-5H,1H3
  • InChI Key: MLWXSSVGXIJYIR-UHFFFAOYSA-N

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Chemical Properties + Synthesis

  • Molecular Weight: 161.1601
  • Calculated Log P: 1.681
  • Rotatable Bonds: 3
  • H Acceptors: 3
  • H Donators: 0
  • Reactions having this substance as a reactant: 12
  • Reactions having this substance as a product: 3
  • Journal articles containing this substance: 8
  • Patents containing this substance: 2
  • Other publications containing this substance:
  • Suppliers: Enamine, Otava

Data from SPRESIweb

3D Interactive Structure