Cas no 1007518-24-2 (3-(4-Bromo-1H-pyrazol-1-yl)propanenitrile)

3-(4-Bromo-1H-pyrazol-1-yl)propanenitrile structure
1007518-24-2 structure
Product Name:3-(4-Bromo-1H-pyrazol-1-yl)propanenitrile
CAS No:1007518-24-2
MF:C6H6BrN3
MW:200.035939693451
MDL:MFCD08701108
CID:1079360
PubChem ID:23006136
Update Time:2025-04-20

3-(4-Bromo-1H-pyrazol-1-yl)propanenitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(4-Bromo-1H-pyrazol-1-yl)propanenitrile
    • ALBB-004623
    • BBL018000
    • CTK5I8835
    • MolPort-000-930-168
    • SBB047448
    • STK503257
    • 3-(4-bromo-1H-pyrazol-1-yl)propanenitrile(SALTDATA
    • 3-(4-bromo-1H-pyrazol-1-yl)propanenitrile(SALTDATA: FREE)
    • EN300-1260919
    • AKOS002657079
    • DTXSID00629699
    • 1007518-24-2
    • E72078
    • MFCD08701108
    • LS-01721
    • CS-0308631
    • SCHEMBL19976137
    • DB-113171
    • 3-(4-bromopyrazol-1-yl)propanenitrile
    • F8882-3806
    • MDL: MFCD08701108
    • Inchi: 1S/C6H6BrN3/c7-6-4-9-10(5-6)3-1-2-8/h4-5H,1,3H2
    • InChI Key: HXHGHKZQUZNBOG-UHFFFAOYSA-N
    • SMILES: BrC1C=NN(C=1)CCC#N

Computed Properties

  • Exact Mass: 198.97451g/mol
  • Monoisotopic Mass: 198.97451g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 150
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.5
  • Topological Polar Surface Area: 41.6?2

3-(4-Bromo-1H-pyrazol-1-yl)propanenitrile Pricemore >>

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