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
    1.9830    1.2925    0.9418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4731    0.2428    0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1094    0.2295    0.1283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5524   -0.8288   -0.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1141   -1.8153   -0.8161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0163   -0.6935   -0.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3798    0.7209   -1.6878 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7812   -0.4138    0.9193 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0310    1.3383    1.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3614    2.1126    1.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1038   -0.5843    0.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4459   -1.6010   -1.1679 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