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
    2.4180   -0.2519    0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586   -0.6025   -0.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0855   -0.6384    0.0524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7831    0.4146    0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4376    1.5115   -0.4382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1436    0.3530    0.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0519   -0.0477    2.4117 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0032   -0.9699   -0.1969 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3058    0.0158    1.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4147   -0.2164   -0.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5464   -0.8543   -1.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7095    1.2862    0.5125 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