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
   -2.3034   -0.1509   -0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4760    0.8628   -0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1204    0.8254   -0.0919 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7023   -0.2691   -0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1975   -1.4045   -0.0843 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1770   -0.1414   -0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9886   -1.7009   -0.0552 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6840    0.7659    1.3768 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -1.1780   -0.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3854    0.0642   -0.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9050    1.8899   -0.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4909    0.4367   -0.9816 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