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
    2.4014    0.1803   -0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5387   -0.3858    0.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3059    0.1772    0.6258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7850   -0.1584   -0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6182   -0.9633   -1.1142 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1362    0.4001    0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2424   -0.2671   -1.1576 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7037   -0.0587    1.6881 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3694   -0.2418   -0.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1772    1.1228   -0.9734 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8141   -1.3165    0.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1211    1.5111    0.0406 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