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
    2.3295    0.4107    0.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6186   -0.1747   -0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3151    0.2151   -0.5815 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7746   -0.3451    0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5589   -1.2453    0.8940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1689    0.0446   -0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2964   -0.8961    0.7763 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3722    1.7610    0.2389 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9337    1.2125    1.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3380    0.1039    0.8379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0327   -0.9723   -0.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966   -0.1144   -1.2977 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