Cas no 98298-67-0 (1-Chloropropyl ethyl carbonate)

1-Chloropropyl ethyl carbonate structure
98298-67-0 structure
Product Name:1-Chloropropyl ethyl carbonate
CAS No:98298-67-0
MF:C6H11ClO3
MW:166.602741479874
CID:2820710
PubChem ID:71331972
Update Time:2025-04-21

1-Chloropropyl ethyl carbonate Chemical and Physical Properties

Names and Identifiers

    • SCHEMBL11235344
    • 98298-67-0
    • DTXSID30760488
    • 1-Chloropropyl ethyl carbonate
    • Inchi: 1S/C6H11ClO3/c1-3-5(7)10-6(8)9-4-2/h5H,3-4H2,1-2H3
    • InChI Key: MOMCJORYOHUFQD-UHFFFAOYSA-N
    • SMILES: ClC(CC)OC(=O)OCC

Computed Properties

  • Exact Mass: 166.0396719Da
  • Monoisotopic Mass: 166.0396719Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 105
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 35.5?2
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