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
   -2.0122    0.5870   -0.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6738   -0.4139   -0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241   -0.6730    0.3401 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6732    0.0867    0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6364    1.1143   -0.6680 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0433   -0.2625    0.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2434    0.9165    0.0155 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4697   -1.8523   -0.1164 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0926    0.6317   -1.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4399    1.3685   -1.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4390   -1.1504    0.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0155   -0.3527    1.6838 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