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
    2.4037   -0.1335    0.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5546   -0.0743   -0.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2370   -0.5225   -0.5314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8026    0.2788   -0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5319    1.4787    0.1373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1993   -0.1737    0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2421    1.1579    0.5619 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2211   -1.4580    1.2631 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4191    0.2055    0.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0521   -0.5403    1.2748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9257    0.3390   -1.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5952   -0.5576   -0.9458 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