Cas no 91192-25-5 (2-(3-Methyl-2-nitrophenyl)acetonitrile)

2-(3-Methyl-2-nitrophenyl)acetonitrile structure
91192-25-5 structure
Product Name:2-(3-Methyl-2-nitrophenyl)acetonitrile
CAS No:91192-25-5
MF:C9H8N2O2
MW:176.172021865845
CID:1028328
PubChem ID:13778935
Update Time:2025-04-20

2-(3-Methyl-2-nitrophenyl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(3-Methyl-2-nitrophenyl)acetonitrile
    • CS-0279452
    • G10558
    • EN300-1837764
    • SCHEMBL6104259
    • DTXSID70549193
    • QRUQKLCGZUEVHE-UHFFFAOYSA-N
    • (3-Methyl-2-nitrophenyl)acetonitrile
    • AKOS006284767
    • 3-METHYL-2-NITROBENZYL CYANIDE
    • 91192-25-5
    • Inchi: 1S/C9H8N2O2/c1-7-3-2-4-8(5-6-10)9(7)11(12)13/h2-4H,5H2,1H3
    • InChI Key: QRUQKLCGZUEVHE-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C(C)=CC=CC=1CC#N)=O

Computed Properties

  • Exact Mass: 176.058577502g/mol
  • Monoisotopic Mass: 176.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 238
  • 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: 2.2
  • Topological Polar Surface Area: 69.6?2

2-(3-Methyl-2-nitrophenyl)acetonitrile Pricemore >>

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