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
   -2.3457    0.5480   -0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5911   -0.4526   -0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2902   -0.6230   -0.5369 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7485    0.0070    0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4683    0.6924    1.1601 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1585   -0.1037   -0.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1561    0.8353    0.8633 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -1.8434   -0.1492 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9653    1.2409   -1.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3303    0.6364   -0.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9308   -1.1716    0.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3305    0.2342   -1.3065 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