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
   -2.6465    0.3704    0.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4933   -0.2330    0.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2835    0.3947    0.4419 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8824   -0.3326    0.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7533   -1.5054   -0.2600 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2308    0.2121    0.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5487    1.6641   -0.5909 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4235   -1.0191   -0.0846 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6192    1.3811    0.8035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6005   -0.0706    0.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5607   -1.2594   -0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3651    0.3976    1.4624 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