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
    2.2980   -0.2828    0.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5108    0.6176   -0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1669    0.6222    0.2978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7111   -0.1188   -0.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3322   -0.7854   -1.4625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1493   -0.1175   -0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2789   -0.7673    1.5511 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8246    1.5206   -0.0925 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8999   -1.0130    1.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3578   -0.3188    0.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8259    1.3890   -0.7429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7632   -0.7459   -0.7509 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