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
   -2.4536    0.2647    0.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4894   -0.5187    0.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2858   -0.6881   -0.0308 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8075    0.1318    0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6536    1.0358    1.0745 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1055   -0.0260   -0.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8172   -1.6273   -0.2133 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2486    1.1900    0.0646 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3688    0.3632    0.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3705    0.8313   -0.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6450   -1.0475    1.5705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9806    0.0908   -1.5996 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