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
    2.2975   -0.3653   -0.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5085    0.6703   -0.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1329    0.4759   -0.7548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7175    0.1349    0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2239   -0.0001    1.4248 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1407   -0.0537    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0353   -0.4852    1.4683 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4423   -1.3066   -1.2369 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9470   -1.3396   -0.9224 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3758   -0.2611   -0.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8774    1.6442   -0.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5792    0.8865   -0.3901 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