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
   -2.4459   -0.0733   -0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4853   -0.2677    0.7312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2279   -0.6331    0.3090 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7725    0.2686   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4945    1.4894    0.1061 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1239   -0.1463   -0.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1076    1.3023   -0.7617 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9561   -1.0843    0.8284 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2738   -0.1939   -1.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4472    0.2177    0.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6687   -0.1443    1.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0942   -0.7352   -1.3963 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