Cas no 2403-62-5 (Benzene,1-(diethoxymethyl)-4-nitro-)

Benzene,1-(diethoxymethyl)-4-nitro- structure
2403-62-5 structure
Product Name:Benzene,1-(diethoxymethyl)-4-nitro-
CAS No:2403-62-5
MF:C11H15NO4
MW:225.241103410721
CID:277110
PubChem ID:326162
Update Time:2025-04-19

Benzene,1-(diethoxymethyl)-4-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-(diethoxymethyl)-4-nitro-
    • 1-(diethoxymethyl)-4-nitrobenzene
    • 1-(diethyloxymethyl)-4-nitrobenzene
    • 4-Nitro-benzaldehyd-diaethylacetal
    • 4-nitrobenzaldehyde diethyl acetal
    • 4-nitro-benzaldehyde diethylacetal
    • AC1L6XS4
    • NSC296502
    • p-nitrobenzaldehyde diethylacetal
    • NSC 296502
    • p-nitrobenzaldehyde diethyl acetal
    • NSC-296502
    • 2403-62-5
    • DTXSID10315713
    • SCHEMBL11692703
    • Inchi: 1S/C11H15NO4/c1-3-15-11(16-4-2)9-5-7-10(8-6-9)12(13)14/h5-8,11H,3-4H2,1-2H3
    • InChI Key: YYTLYWWTGUCGSH-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=CC(=CC=1)[N+](=O)[O-])OCC

Computed Properties

  • Exact Mass: 225.10015
  • Monoisotopic Mass: 225.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 203
  • 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: 2.1
  • Topological Polar Surface Area: 64.3?2

Experimental Properties

  • Density: 1.142
  • Boiling Point: 298.3°Cat760mmHg
  • Flash Point: 116.6°C
  • Refractive Index: 1.518
  • PSA: 61.6
  • LogP: 3.18960
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