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
    2.2544   -0.2885   -0.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6285   -0.3203    0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931   -0.6311    0.4281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7284    0.3200    0.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3670    1.5082    0.2117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1468    0.0165    0.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0909    1.5126    0.4236 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7611   -1.1079   -0.6750 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7404   -0.5124   -1.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2977   -0.0416   -0.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1760   -0.0905    1.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2959   -0.3649    1.5821 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