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
   -2.3338    0.0462    0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3949    0.9254   -0.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0389    0.7604   -0.1204 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6853   -0.3805    0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0562   -1.4537    0.1888 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1686   -0.4604    0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7283    0.5799    1.3689 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8716    0.1541   -1.4838 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1989   -1.0138    0.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3735    0.3472   -0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6968    1.9816   -0.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5268   -1.4864    0.2064 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