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
    2.2002   -0.4408   -0.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4795   -0.7163    0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1831   -0.3807    0.4233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7110    0.3436   -0.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2936    0.7673   -1.4324 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1057    0.6216    0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1173    1.5244    1.6637 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0228   -0.9007    0.3478 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8409    0.1336   -1.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2316   -0.8128   -0.9279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9485   -1.3182    0.9556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6334    1.1790   -0.6549 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