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
   -2.6338   -0.4187   -0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5187    0.2767   -0.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2741   -0.3784   -0.1863 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8968    0.3661   -0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7824    1.6065   -0.2710 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2362   -0.2615   -0.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4464    1.0202   -0.4431 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5177   -1.3529    1.0226 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5643   -1.4891   -0.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5806    0.0953    0.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5839    1.3525   -0.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2759   -0.8168   -1.3266 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