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
    1.8514    0.8946    1.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7827    0.1542    1.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2629    0.2713    0.5692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4142   -0.4418   -0.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4735   -1.2867   -0.8829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5831   -0.2462   -1.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0369   -0.6284   -0.5149 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5384   -1.3848   -2.8381 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9639    1.6231    0.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6645    0.7760    2.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7063   -0.5466    2.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6067    0.8153   -1.8225 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