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
   -2.2733   -0.3798   -0.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5588    0.5609   -0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1902    0.6158   -0.2574 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7110   -0.0657    0.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2505   -0.7446    1.4942 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1707   -0.0208    0.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5884   -0.6514   -1.3021 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8052    1.6310    0.4606 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3391   -0.4751   -0.4866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7942   -1.0989   -1.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0569    1.2562    0.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6866   -0.6277    1.0942 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