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
   -2.5429    0.4336    0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5372   -0.0004   -0.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2756    0.0748    0.2414 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8800   -0.3257   -0.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8194   -0.8066   -1.5202 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2198   -0.2189    0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4449    1.5342    0.6307 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4997   -0.8232   -0.7739 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5396    0.3903    0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4472    0.8412    1.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7502   -0.3869   -1.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2289   -0.7123    1.2876 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