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
   -2.4034   -0.1442    0.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4618   -0.5644   -0.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1755   -0.6343   -0.1085 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7568    0.3684   -0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4400    1.4498   -0.6918 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1138    0.1225    0.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9214   -1.2377   -0.4425 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0942    1.5981    0.3270 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4205   -0.0848   -0.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2377    0.1579    1.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6895   -0.8491   -1.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0622   -0.1822    1.4605 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