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
   -2.4299   -0.4141    0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5445    0.5517    0.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2662    0.5234    0.6093 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7791   -0.0093   -0.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5078   -0.4571   -1.2729 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1702   -0.0488    0.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2939   -0.7758   -0.7303 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7404    1.5796    0.8599 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -1.3071    0.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4165   -0.3986   -0.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8475    1.4157   -0.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1592   -0.6596    1.3246 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