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
   -2.3199    0.2175    0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4902   -0.7437    0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1725   -0.5827    0.5402 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6954    0.0565   -0.3298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    0.4509   -1.4175 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443    0.2786    0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8753   -1.3155    0.2886 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9389    1.1535   -1.2987 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0077    1.0812    0.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3414    0.1183    0.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8149   -1.6274   -0.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2253    0.9127    0.9313 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