Cas no 139884-17-6 (Benzene, 1-[(methoxymethoxy)methyl]-4-nitro-)

Benzene, 1-[(methoxymethoxy)methyl]-4-nitro- structure
139884-17-6 structure
Product Name:Benzene, 1-[(methoxymethoxy)methyl]-4-nitro-
CAS No:139884-17-6
MF:C9H11NO4
MW:197.187942743301
CID:1283672
PubChem ID:11458264
Update Time:2025-04-20

Benzene, 1-[(methoxymethoxy)methyl]-4-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-[(methoxymethoxy)methyl]-4-nitro-
    • 1-(methoxymethoxymethyl)-4-nitrobenzene
    • SCHEMBL15114767
    • DTXSID90466494
    • 139884-17-6
    • Inchi: 1S/C9H11NO4/c1-13-7-14-6-8-2-4-9(5-3-8)10(11)12/h2-5H,6-7H2,1H3
    • InChI Key: WDAZNWDQLWNNKJ-UHFFFAOYSA-N
    • SMILES: O(COC)CC1C=CC(=CC=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 197.06883
  • Monoisotopic Mass: 197.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 172
  • 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: 1.4
  • Topological Polar Surface Area: 64.3?2

Experimental Properties

  • PSA: 61.6
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