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
    2.5300   -0.8891    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5782    0.0126    0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2325   -0.3879    0.0036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7946    0.5191    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5086    1.7323    0.2446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2339    0.1576   -0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2655    1.5990    0.1433 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6897   -0.9810    1.3108 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5538   -0.5573    0.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3003   -1.9279   -0.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7819    1.0593    0.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4843   -0.3367   -0.9725 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