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
    2.3320   -0.4080    0.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5839    0.2151   -0.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2742   -0.1995   -0.7343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7474    0.3411    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4373    1.2312    0.8514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1694   -0.0660   -0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3943   -1.8018    0.2013 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1849    0.8998    0.9488 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9283   -1.2212    0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3635   -0.1502    0.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0008    1.0367   -1.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5493    0.1228   -1.1852 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