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
    2.3339    0.5179   -0.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5710   -0.1561    0.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2599    0.1743    0.4965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828   -0.3542   -0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4707   -1.1274   -1.1887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1982   -0.0687   -0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401   -0.5897    1.6469 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5643    1.6646   -0.1073 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3436    0.2285   -0.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9509    1.3903   -1.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9993   -1.0156    0.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8026   -0.6638   -0.7316 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