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
   -2.3905   -0.0314    0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5044    0.3958   -0.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2200    0.7492   -0.2051 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8007   -0.2021   -0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4840   -1.3632   -0.5407 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1888    0.1360    0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1798   -1.3345    0.0964 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1593    0.6952    1.9031 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3791   -0.2995   -0.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1597   -0.1268    1.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7978    0.4669   -1.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6387    0.9144   -0.4506 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