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
    2.5323   -0.7080   -0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5073    0.0707    0.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2018   -0.3823   -0.0299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8343    0.4706    0.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5406    1.6107    0.7706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2577    0.0986    0.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4792   -1.3520    1.2756 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2468    1.3821    0.9335 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -0.3909   -0.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719   -1.7082   -0.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7470    1.0565    0.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5556   -0.1479   -0.8091 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