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
    2.3301   -0.4456   -0.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5001    0.5289   -0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1627    0.5155   -0.4369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7389   -0.0150    0.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2823   -0.4642    1.5481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1808   -0.0226    0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4779   -0.9558   -1.3603 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7790    1.6389   -0.0699 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3597   -0.3637   -0.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0008   -1.3258   -0.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8564    1.4266    0.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512   -0.5172    0.9348 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