Cas no 501085-55-8 (Benzene, 1,3-dichloro-2-(dimethoxymethyl)-)

Benzene, 1,3-dichloro-2-(dimethoxymethyl)- structure
501085-55-8 structure
Product Name:Benzene, 1,3-dichloro-2-(dimethoxymethyl)-
CAS No:501085-55-8
MF:C9H10Cl2O2
MW:221.080501079559
CID:1557019
PubChem ID:71366787
Update Time:2025-04-21

Benzene, 1,3-dichloro-2-(dimethoxymethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,3-dichloro-2-(dimethoxymethyl)-
    • 1,3-dichloro-2-(dimethoxymethyl)benzene
    • DTXSID20790138
    • 501085-55-8
    • Inchi: 1S/C9H10Cl2O2/c1-12-9(13-2)8-6(10)4-3-5-7(8)11/h3-5,9H,1-2H3
    • InChI Key: XGMFARGIQKVTFB-UHFFFAOYSA-N
    • SMILES: ClC1C=CC=C(C=1C(OC)OC)Cl

Computed Properties

  • Exact Mass: 220.0059
  • Monoisotopic Mass: 220.0057849g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 141
  • 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: 2.8
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • PSA: 18.46

Benzene, 1,3-dichloro-2-(dimethoxymethyl)- Related Literature

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