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
   -2.5541    0.2317    0.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4762   -0.4162   -0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2436    0.1263    0.0778 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9635   -0.4050   -0.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9976   -1.4862   -0.8896 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2238    0.2811    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2900    1.9074   -0.6005 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.3523    1.8947 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5671   -0.1329   -0.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5140    1.1700    0.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6247   -1.3399   -0.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0882   -0.2886   -0.2780 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