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
   -2.3702    0.1119   -0.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5474   -0.1171    0.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2692    0.3922    0.5131 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7998   -0.2953   -0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5767   -1.4324   -0.5118 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1363    0.3461   -0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3674   -0.6751   -0.7627 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6025    0.6180    1.6751 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0914    0.6937   -1.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3955   -0.2677   -0.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8576   -0.6953    1.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0486    1.3210   -0.5742 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