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
   -2.3968    0.0636    0.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5468   -0.4056   -0.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2910    0.1321   -0.6532 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8278   -0.2961    0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -1.2241    0.8653 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552    0.3685   -0.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4112   -0.3583    0.8118 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0266    2.1330    0.1084 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0685    0.9059    0.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3915   -0.3346    0.5256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8329   -1.2318   -1.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275    0.2473   -1.2531 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