Monomers

Vinyl dichloroacetate

Identifiers

IUPAC name
ethenyl 2,2-dichloroacetate
InchI
InChI=1S/C4H4Cl2O2/c1-2-8-4(7)3(5)6/h2-3H,1H2
InchI Key
ZBCLTORTGNOIGM-UHFFFAOYSA-N
SMILES
C=COC(=O)C(Cl)Cl
Canonical SMILES
C=COC(=O)C(Cl)Cl
Isomeric SMILES
C=COC(=O)C(Cl)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H4Cl2O2
Heavy Atom Count
8
Molecular Weight
154.98
Exact Molecular Weight
153.9588
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.4768
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -2.3998    0.0843   -0.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4794   -0.7639    0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1631   -0.5346   -0.2089 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7263    0.1697    0.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2809    0.6369    1.6515 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1216    0.3269    0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0921    1.2600    1.2601 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9181   -1.2431   -0.1388 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0941    0.9570   -0.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4536   -0.0779   -0.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7148   -1.6654    0.6504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1657    0.8501   -0.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  6 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers