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
    2.2674    0.6692   -0.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4353    0.4695    0.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0783    0.5202    0.2676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6643   -0.5971   -0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0602   -1.6754   -0.2070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495   -0.5011   -0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8219    0.0811    1.2572 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5270    0.7261   -1.5203 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3398    0.6394   -0.3903 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8802    0.8744   -1.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8196    0.2657    1.4564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5979   -1.4720   -0.4918 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