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
   -2.3876    0.5377    0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5822   -0.5010   -0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3074   -0.5101    0.4978 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7947   -0.0628   -0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5368    0.3453   -1.4071 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -0.0600    0.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7189   -1.6867    0.7737 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2404    0.6798   -0.8979 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0433    1.4099    0.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3829    0.5703   -0.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9488   -1.3599   -0.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1864    0.6374    1.2080 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