Monomers

Allyl trichloroacetate

Identifiers

IUPAC name
prop-2-enyl 2,2,2-trichloroacetate
InchI
InChI=1S/C5H5Cl3O2/c1-2-3-10-4(9)5(6,7)8/h2H,1,3H2
InchI Key
LJQCONXCOYBYIE-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(Cl)(Cl)Cl
Canonical SMILES
C=CCOC(=O)C(Cl)(Cl)Cl
Isomeric SMILES
C=CCOC(=O)C(Cl)(Cl)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H5Cl3O2
Heavy Atom Count
10
Molecular Weight
203.452
Exact Molecular Weight
201.9355
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
2.0858
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

 15 14  0  0  0  0  0  0  0  0999 V2000
   -2.7889    0.2965   -0.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6938   -0.2787   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7776    0.4278    0.9016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5190    0.5722    0.4138 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3380   -0.4920    0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9281   -1.6588    0.1934 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7036   -0.1445   -0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6550   -1.5635   -0.8379 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4551    0.9262   -1.8468 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5325    0.7830    0.8482 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0926    1.3018   -0.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4328   -0.2426   -1.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4378   -1.2852   -0.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1791    1.4588    1.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7287   -0.1011    1.8762 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  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers