Cas no 10242-16-7 (Benzene, 1-(1-methylethoxy)-2,4-dinitro-)

Benzene, 1-(1-methylethoxy)-2,4-dinitro- structure
10242-16-7 structure
Product Name:Benzene, 1-(1-methylethoxy)-2,4-dinitro-
CAS No:10242-16-7
MF:C9H10N2O5
MW:226.186102390289
CID:1133054
PubChem ID:3027253
Update Time:2025-04-20

Benzene, 1-(1-methylethoxy)-2,4-dinitro- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-(1-methylethoxy)-2,4-dinitro-
    • (2,4-dinitro-phenyl)-isopropyl ether
    • AKOS005594376
    • SCHEMBL6809251
    • CZ78200000
    • DTXSID601286716
    • Benzene, 2,4-dinitro-1-(1-methylethoxy)-
    • NIOSH/CZ7820000
    • 1-(1-Methylethoxy)-2,4-dinitrobenzene
    • 2,4-Dinitro-1-(1-methylethoxy)benzene
    • 2,4-dinitro-1-(propan-2-yloxy)benzene
    • 10242-16-7
    • STK676951
    • Ether, 2,4-dinitrophenyl isopropyl
    • Inchi: 1S/C9H10N2O5/c1-6(2)16-9-4-3-7(10(12)13)5-8(9)11(14)15/h3-6H,1-2H3
    • InChI Key: NIRCWCOZBNPIEE-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])C(C)C

Computed Properties

  • Exact Mass: 226.059
  • Monoisotopic Mass: 226.05897142g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 270
  • 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: 101?2

Experimental Properties

  • PSA: 95.51
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