Cas no 110861-18-2 (Acetic acid 5,6-dichloro-pyridin-3-yl ester)

Acetic acid 5,6-dichloro-pyridin-3-yl ester structure
110861-18-2 structure
Product Name:Acetic acid 5,6-dichloro-pyridin-3-yl ester
CAS No:110861-18-2
MF:C7H5Cl2NO2
MW:206.026099920273
CID:2124686
Update Time:2023-08-04

Acetic acid 5,6-dichloro-pyridin-3-yl ester Chemical and Physical Properties

Names and Identifiers

    • 5-acetoxy-2,3-dichloropyridine
    • 3-Pyridinol, 5,6-dichloro-, 3-acetate
    • 5-acetyloxy-2,3-dichloropyridine
    • ZWUBSOYJEJHMRR-UHFFFAOYSA-N
    • acetic acid 5,6-dichloro-pyridin-3-yl ester
    • Acetic acid 5,6-dichloro-pyridin-3-yl ester
    • Inchi: 1S/C7H5Cl2NO2/c1-4(11)12-5-2-6(8)7(9)10-3-5/h2-3H,1H3
    • InChI Key: ZWUBSOYJEJHMRR-UHFFFAOYSA-N
    • SMILES: ClC1=C(N=CC(=C1)OC(C)=O)Cl

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 177
  • XLogP3: 2.2
  • Topological Polar Surface Area: 39.2
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