Cas no 125914-22-9 (2-(5-bromo-2-nitrophenyl)acetonitrile)

2-(5-bromo-2-nitrophenyl)acetonitrile structure
125914-22-9 structure
Product Name:2-(5-bromo-2-nitrophenyl)acetonitrile
CAS No:125914-22-9
MF:C8H5BrN2O2
MW:241.041500806808
CID:1006425
PubChem ID:24212923
Update Time:2025-04-20

2-(5-bromo-2-nitrophenyl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(5-bromo-2-nitrophenyl)acetonitrile
    • (5-Bromo-2-nitrophenyl)acetonitrile
    • 1,2,4,5-Tetrazine, 3-bromo-6-(methylthio)-
    • 3-Brom-6-methylthio-1,2,4,5-tetrazin
    • 3-Brom-6-nitro-benzylcyanid
    • 3-bromo-6-methylsulfanyl-[1,2,4,5]tetrazine
    • 5-Brom-2-nitro-benzylcyanid
    • 6-bromo-1,2,4,5-tetraazin-3-yl methyl sulfide
    • CTK2A5589
    • AKOS014677657
    • 5-Bromo-2-nitrophenylacetonitrile
    • MFCD03206463
    • Benzeneacetonitrile, 5-bromo-2-nitro-
    • CS-0334698
    • 125914-22-9
    • MDL： MFCD03206463
    • Inchi： 1S/C8H5BrN2O2/c9-7-1-2-8(11(12)13)6(5-7)3-4-10/h1-2,5H,3H2
    • InChI Key： ZHTDHZRKDAFUFR-UHFFFAOYSA-N
    • SMILES： BrC1C=CC(=C(CC#N)C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 239.95344g/mol
  • Monoisotopic Mass: 239.95344g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 242
  • 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: 2.1
  • Topological Polar Surface Area: 69.6?2

2-(5-bromo-2-nitrophenyl)acetonitrile Pricemore >>

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