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
    2.2746    0.1886    0.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5536   -0.0134   -0.4916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2215    0.3632   -0.4730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8113   -0.4679   -0.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5432   -1.6384    0.2897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2075    0.0709   -0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2282    1.4742    0.9909 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5152    0.6477   -1.7824 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8307    0.6359    1.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3390   -0.0962    0.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0149   -0.4638   -1.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9287   -0.7007    0.1664 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