Cas no 89876-53-9 (Propanoic acid, 2,3-dichloro-, 2-methylpropyl ester)

Propanoic acid, 2,3-dichloro-, 2-methylpropyl ester structure
89876-53-9 structure
Product Name:Propanoic acid, 2,3-dichloro-, 2-methylpropyl ester
CAS No:89876-53-9
MF:C7H12Cl2O2
MW:199.074980735779
CID:586251
PubChem ID:527717
Update Time:2025-04-19

Propanoic acid, 2,3-dichloro-, 2-methylpropyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 2,3-dichloro-, 2-methylpropyl ester
    • 2-methylpropyl 2,3-dichloropropanoate
    • Propanoic acid, 2,3-dichloro, 2-methylropyl ester
    • WHVMKUBKNGLRBV-UHFFFAOYSA-N
    • SCHEMBL8926650
    • Isobutyl 2,3-dichloropropanoate
    • DTXSID30335892
    • 89876-53-9
    • Inchi: 1S/C7H12Cl2O2/c1-5(2)4-11-7(10)6(9)3-8/h5-6H,3-4H2,1-2H3
    • InChI Key: WHVMKUBKNGLRBV-UHFFFAOYSA-N
    • SMILES: ClC(CCl)C(=O)OCC(C)C

Computed Properties

  • Exact Mass: 198.0214350g/mol
  • Monoisotopic Mass: 198.0214350g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 126
  • 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: 2.7
  • Topological Polar Surface Area: 26.3?2
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