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
   -2.2369   -0.6516    0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5306    0.1488   -0.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2064    0.4471   -0.6577 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7361   -0.0411    0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3790   -0.8586    1.0847 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1677    0.4086    0.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2401    2.1700    0.3243 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2006   -0.4171    1.2503 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8325   -1.2272    0.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3204   -0.7982   -0.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1043    0.6676   -1.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5075    0.1517   -0.9405 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