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
    2.3100   -0.2643    0.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5455    0.6191    0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2005    0.6463    0.3523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7149   -0.1179   -0.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2893   -0.8272   -1.2960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1687   -0.1059   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0851   -1.1815   -1.0769 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7132    1.5897   -0.2071 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9148   -0.9490    1.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3509   -0.3093    0.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9703    1.3045   -0.7145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207   -0.4046    1.0467 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