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
   -2.2203    0.5592    0.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4400    0.2044   -0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1204   -0.1018   -0.4997 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7005   -0.1096    0.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2329    0.1929    1.6988 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1488   -0.4577    0.5276 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3204   -2.1173   -0.0821 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0451    0.6111   -0.5470 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9452    0.6720    1.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2942    0.7827    0.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9893    0.1654   -1.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5616   -0.4012    1.5490 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