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
   -2.2871    0.6911    0.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6285   -0.3910   -0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3867   -0.3416   -0.6613 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7643   -0.3133    0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6197   -0.3345    1.3507 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1272   -0.2609   -0.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2854    1.2354   -1.4212 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3169   -0.1458    0.8785 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8386    1.6479    0.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2527    0.6904    0.7563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1166   -1.3438    0.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3967   -1.1340   -1.0530 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