Cas no 196818-49-2 ([3-Isopropylnitrobenzene])

[3-Isopropylnitrobenzene] structure
[3-Isopropylnitrobenzene] structure
Product Name:[3-Isopropylnitrobenzene]
CAS No:196818-49-2
MF:C9H11NO2
MW:165.189142465591
CID:1108525
PubChem ID:591251
Update Time:2025-04-20

[3-Isopropylnitrobenzene] Chemical and Physical Properties

Names and Identifiers

    • [3-Isopropylnitrobenzene]
    • 1-Isopropyl-3-nitrobenzene
    • m-nitroisopropylbenzene
    • 3-Nitroisopropylbenzene
    • Cumene, m-nitro-
    • Benzene, 1-(1-methylethyl)-3-nitro-
    • MFCD00092917
    • 1-nitro-3-propan-2-ylbenzene
    • m-Isopropylnitrobenzene
    • A856764
    • DB-315473
    • AKOS015890280
    • 3-Isopropylnitrobenzene
    • 6526-74-5
    • 2-(m-Nitrophenyl)propane
    • 3-Nitrocumene
    • m-Nitrocumene
    • SCHEMBL254876
    • 1-Isopropyl-3-nitrobenzene #
    • 196818-49-2
    • Inchi: 1S/C9H11NO2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h3-7H,1-2H3
    • InChI Key: NRKSONABASVOGU-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=CC=CC(=C1)C(C)C)=O

Computed Properties

  • Exact Mass: 165.078978594g/mol
  • Monoisotopic Mass: 165.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 162
  • 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: 3.2
  • Topological Polar Surface Area: 45.8?2
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