Cas no 62469-09-4 (Benzene, 1-dodecyl-3-nitro-)

Benzene, 1-dodecyl-3-nitro- structure
Benzene, 1-dodecyl-3-nitro- structure
Product Name:Benzene, 1-dodecyl-3-nitro-
CAS No:62469-09-4
MF:C18H29NO2
MW:291.428365468979
CID:443791
PubChem ID:10779948
Update Time:2025-04-19

Benzene, 1-dodecyl-3-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-dodecyl-3-nitro-
    • 1-dodecyl-3-nitrobenzene
    • DTXSID50444839
    • 62469-09-4
    • Inchi： 1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)19(20)21/h12,14-16H,2-11,13H2,1H3
    • InChI Key： LWGXKALJSYYTRL-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1=CC=CC(=C1)CCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 291.21997
  • Monoisotopic Mass: 291.219829168g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 11
  • Complexity: 262
  • 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: 8.3
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • PSA: 43.14

Benzene, 1-dodecyl-3-nitro- Related Literature

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