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
   -2.1539   -1.0855   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5053   -0.1786    0.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5235    0.6374    0.0566 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7908    0.2077    0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0258   -0.9119    0.5838 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9102    1.0066   -0.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4099    0.0873   -0.2569 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6692    1.2701   -2.2454 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9695   -1.2481   -1.1682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9104   -1.6979    0.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7544   -0.0775    1.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0111    1.9904    0.0393 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