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
   -0.8152    2.3672    0.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7887    1.3005   -0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865    0.2682    0.2964 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138   -0.8532   -0.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6667   -0.8835   -1.4947 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9935   -2.0102   -0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6657   -2.7380    1.3103 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7122   -1.5220   -0.3117 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4851    3.2014    0.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1555    2.4140    1.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4572    1.2614   -0.8659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7968   -2.8058   -1.0327 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