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
   -2.2457   -0.4795   -0.8142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6302    0.0702    0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3139   -0.2465    0.4730 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7695    0.4208   -0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657    1.3867   -0.8160 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1794    0.0727    0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5575   -1.5938   -0.2418 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3864    0.2067    2.0413 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7228   -1.1908   -1.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862   -0.2198   -1.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1380    0.7871    0.8407 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8783    0.7861   -0.1879 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