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
    2.4513    0.6756   -0.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5166    0.3262    0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2645    0.0552   -0.2326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8197   -0.3220    0.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6599   -0.4309    1.7661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1197   -0.5831   -0.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6689    0.9007   -0.9797 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3418   -1.1582    0.9900 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2077    0.7388   -1.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4440    0.8989   -0.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7257    0.2505    1.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9997   -1.3518   -0.9291 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