Cas no 2222511-91-1 (4-Bromo-5-methyl-1H-pyrazole-3-carbonitrile)

4-Bromo-5-methyl-1H-pyrazole-3-carbonitrile structure
2222511-91-1 structure
Product Name:4-Bromo-5-methyl-1H-pyrazole-3-carbonitrile
CAS No:2222511-91-1
MF:C5H4BrN3
MW:186.009359359741
CID:5065719
Update Time:2023-08-25

4-Bromo-5-methyl-1H-pyrazole-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-5-methyl-1H-pyrazole-3-carbonitrile
    • Inchi: 1S/C5H4BrN3/c1-3-5(6)4(2-7)9-8-3/h1H3,(H,8,9)
    • InChI Key: HLAYQBULDDTUEP-UHFFFAOYSA-N
    • SMILES: BrC1C(C#N)=NNC=1C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 150
  • XLogP3: 1.4
  • Topological Polar Surface Area: 52.5

4-Bromo-5-methyl-1H-pyrazole-3-carbonitrile Pricemore >>

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