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
    2.4751   -0.0977   -0.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4696    0.6982   -0.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1962    0.2634   -0.7798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7793   -0.0229    0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4079    0.1455    1.3720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1405   -0.4863   -0.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0432   -0.7275    1.3389 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0398    0.7443   -1.1069 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3935   -1.1737   -0.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4334    0.3100    0.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5963    1.7681   -0.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1535   -1.4215   -0.7440 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