Cas no 873055-82-4 (1-[2-(2-Methoxy-ethoxy)-1,1-dimethyl-ethyl]-4-nitro-benzene)

1-[2-(2-Methoxy-ethoxy)-1,1-dimethyl-ethyl]-4-nitro-benzene structure
873055-82-4 structure
Product Name:1-[2-(2-Methoxy-ethoxy)-1,1-dimethyl-ethyl]-4-nitro-benzene
CAS No:873055-82-4
MF:C13H19NO4
MW:253.29426407814
CID:2138858
Update Time:2023-08-03

1-[2-(2-Methoxy-ethoxy)-1,1-dimethyl-ethyl]-4-nitro-benzene Chemical and Physical Properties

Names and Identifiers

    • 1-[2-(2-methoxy-ethoxy)-1,1-dimethyl-ethyl]-4-nitro-benzene
    • QWPSMHWZUCWTRI-UHFFFAOYSA-N
    • 1-[2-(2-Methoxy-ethoxy)-1,1-dimethyl-ethyl]-4-nitro-benzene
    • Inchi: 1S/C13H19NO4/c1-13(2,10-18-9-8-17-3)11-4-6-12(7-5-11)14(15)16/h4-7H,8-10H2,1-3H3
    • InChI Key: QWPSMHWZUCWTRI-UHFFFAOYSA-N
    • SMILES: O(CCOC)CC(C)(C)C1C=CC(=CC=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 253.131
  • Monoisotopic Mass: 253.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 6
  • Complexity: 254
  • 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
  • Topological Polar Surface Area: 64.3
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