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
    2.3172    0.0175    0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5291    0.7572   -0.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1686    0.8367   -0.5857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7230    0.1583    0.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2656   -0.6668    1.0124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2003    0.3182    0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8731   -0.0627   -1.4547 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -0.6632    1.3533 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0254   -0.6973    0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    0.0841   -0.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0160    1.4294   -1.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3944    1.4131    0.3110 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