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
    2.2956    0.2914   -0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5036   -0.6748    0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1549   -0.7007    0.1907 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7638    0.2938   -0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3311    1.3919   -0.3769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2276    0.1211    0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4748   -0.3375    1.8794 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7580   -1.2343   -0.8908 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3839    0.1789   -0.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9559    1.2715   -0.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9951   -1.6388    0.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7338    1.0376   -0.1073 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