Cas no 102878-75-1 (2-Ethyl-4-methyl-1-nitrobenzene)

2-Ethyl-4-methyl-1-nitrobenzene structure
102878-75-1 structure
Product Name:2-Ethyl-4-methyl-1-nitrobenzene
CAS No:102878-75-1
MF:C9H11NO2
MW:165.189142465591
CID:1092377
PubChem ID:11171164
Update Time:2025-04-20

2-Ethyl-4-methyl-1-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 2-Ethyl-4-methyl-1-nitrobenzene
    • SCHEMBL7193090
    • 102878-75-1
    • Benzene, 2-ethyl-4-methyl-1-nitro-
    • Inchi： 1S/C9H11NO2/c1-3-8-6-7(2)4-5-9(8)10(11)12/h4-6H,3H2,1-2H3
    • InChI Key： HRGHYPZQJLQUKX-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CC(C)=CC=1CC)=O

Computed Properties

  • Exact Mass: 165.07903
  • Monoisotopic Mass: 165.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 164
  • 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: 2.9
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • PSA: 43.14

2-Ethyl-4-methyl-1-nitrobenzene Related Literature

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