Cas no 36953-44-3 (5-Bromo-1H-pyrrole-2-carbonitrile)

5-Bromo-1H-pyrrole-2-carbonitrile structure
36953-44-3 structure
Product Name:5-Bromo-1H-pyrrole-2-carbonitrile
CAS No:36953-44-3
MF:C5H3BrN2
MW:170.994719743729
MDL:MFCD23135667
CID:1038779
PubChem ID:70577839
Update Time:2025-04-20

5-Bromo-1H-pyrrole-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-1H-pyrrole-2-carbonitrile
    • 1H-Pyrrole-2-carbonitrile, 5-bromo-
    • 4702AB
    • FCH2316260
    • AX8241189
    • ST24023872
    • SCHEMBL11392877
    • BS-16689
    • 36953-44-3
    • D82532
    • AKOS016002742
    • DTXSID90742422
    • CS-0188312
    • SB63911
    • MDL: MFCD23135667
    • Inchi: 1S/C5H3BrN2/c6-5-2-1-4(3-7)8-5/h1-2,8H
    • InChI Key: ICKKJIMPEICFGO-UHFFFAOYSA-N
    • SMILES: BrC1=CC=C(C#N)N1

Computed Properties

  • Exact Mass: 169.94796g/mol
  • Monoisotopic Mass: 169.94796g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 126
  • 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
  • Topological Polar Surface Area: 39.6
  • XLogP3: 1.8

5-Bromo-1H-pyrrole-2-carbonitrile Pricemore >>

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