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
   -2.3407   -0.0622    0.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5060   -0.1021   -0.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2697    0.4947   -0.5702 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8007   -0.2426   -0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5949   -1.4317    0.1981 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1374    0.3781    0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0683    1.7397    1.2274 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2701   -0.8651    0.6480 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3207   -0.5141    0.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1027    0.4120    1.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7935   -0.5869   -1.6419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4620    0.7801   -0.8837 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