Substance Profile

4-Chloro-benzoyl isocyanate

  • Molecular Formula: C8H4ClNO2
  • Element System: C-Cl-H-N-O
  • CAS-RN: 4461-36-3
  • InChI: InChI=1S/C8H4ClNO2/c9-7-3-1-6(2-4-7)8(12)10-5-11/h1-4H
  • InChI Key: SXXVLHPKDPFUBT-UHFFFAOYSA-N

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Chemical Properties + Synthesis

  • Molecular Weight: 181.5784
  • Calculated Log P: 1.975
  • Rotatable Bonds: 2
  • H Acceptors: 3
  • H Donators: 0
  • Reactions having this substance as a reactant: 22
  • Reactions having this substance as a product: 4
  • Journal articles containing this substance: 14
  • Patents containing this substance: 2
  • Other publications containing this substance:
  • Suppliers: Enamine, Otava

Data from SPRESIweb

3D Interactive Structure