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
    2.4220    0.1969    0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4577   -0.6906    0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1290   -0.3950    0.3378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7772    0.0062   -0.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3977    0.1206   -1.7891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1906    0.3082   -0.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2991    1.6217    0.9385 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9271   -1.1751    0.4060 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2434    1.2185    0.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4321   -0.0975   -0.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6687   -1.7236   -0.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7611    0.6098   -1.1439 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