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
    2.2761    0.4595    0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4906    0.1329   -0.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1344    0.4020   -0.5163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7159   -0.5598    0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2934   -1.6742    0.4185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1572   -0.1614    0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7446    0.1842   -1.4858 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3439    1.3104    1.1264 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3326    0.2587    0.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9256    0.9124    1.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8635   -0.3149   -1.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7676   -0.9499    0.6281 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