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
    2.3774   -0.6029    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    0.4060   -0.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2322    0.2771   -0.5262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7942    0.1928    0.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5278    0.2327    1.6045 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2181    0.0555   -0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6322    1.4799   -1.0026 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5255   -1.4518   -0.8974 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4106   -0.4623    0.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0228   -1.6166   -0.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9658    1.4131   -0.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8845    0.0764    0.8630 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