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
    2.3315    0.3193   -0.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3777   -0.3958   -0.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0829    0.0635   -0.7244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7204   -0.2997    0.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2907   -1.0260    1.2857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1171    0.1675    0.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9470   -0.4683   -1.0384 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2155    1.9452    0.4372 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0844    1.2597    0.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3711   -0.0454   -0.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6466   -1.3323   -1.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6035   -0.1877    1.3411 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