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
   -2.4297   -0.1325    0.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4652    0.7092   -0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2210    0.2644   -0.4350 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7761    0.0335    0.5137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4636    0.2547    1.7128 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.4391    0.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0877   -0.6090    1.6347 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9372    0.6371   -0.9933 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2951   -1.2099    0.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4160    0.1911    0.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6247    1.7676    0.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0703   -1.4671   -0.3011 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