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
    2.3658   -1.1995    0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2332    0.0985    0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9344    0.7970   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651   -0.0739    0.0680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4340    0.5405   -0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5374    1.7815   -0.1869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6706   -0.2664    0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6033   -1.4496   -1.2806 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7980   -1.0970    1.6277 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583    0.8060   -0.1860 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3382   -1.6575    0.3144 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4725   -1.8225    0.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1246    0.7184    0.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8903    1.5522    0.7825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9076    1.2724   -1.0470 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