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
   -2.1654    0.7297    0.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6399   -0.4059    0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655   -0.5741    0.4862 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6723   -0.2046   -0.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2184    0.2895   -1.5306 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1301   -0.3803   -0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621    0.2085   -1.7165 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6783    0.5736    1.1184 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5595    1.4866    1.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2141    0.9177    0.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2248   -1.2041   -0.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080   -1.4365   -0.0882 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