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
    1.7737    1.5531   -0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5043    0.3813    0.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5268   -0.4077   -0.1514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7850   -0.3065    0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0412    0.5094    1.1930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8434   -1.1681   -0.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3211   -2.8567   -0.0014 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8094   -0.8749   -2.0715 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    2.1861    0.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220    1.8944   -0.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0498    0.0370    1.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8169   -0.9472    0.1356 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