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
   -2.3932   -0.2603   -0.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4921    0.6756   -0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1469    0.4703   -0.7245 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7840   -0.0133    0.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3591   -0.2536    1.3483 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2131   -0.2329   -0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9482    1.3024   -0.7426 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3514   -1.3863   -1.5459 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1870   -1.2570   -0.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4121   -0.0788   -0.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7914    1.6367    0.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7669   -0.6028    0.6564 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