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
   -2.3645    0.4096    0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2820    1.0661   -0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    0.6737    0.4280 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6937   -0.2712   -0.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1806   -0.7151   -1.3424 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0131   -0.7617    0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6020   -1.9498   -1.0585 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1612    0.6189    0.1495 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2451   -0.4206    0.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3350    0.6986   -0.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3956    1.9047   -0.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0092   -1.2531    1.1132 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