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
   -2.7783   -0.7255    0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6758   -0.1772    0.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9089    0.8463   -0.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4148    0.4833   -0.4883 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3610    0.1713    0.4711 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9932    0.2209    1.6746 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7678   -0.2110    0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5598    1.0963   -0.7929 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8008   -1.6726   -0.8917 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6724   -0.5073    1.5898 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3396   -1.4767    0.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1679   -0.4399   -0.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3279   -0.4954    1.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3946    1.0607   -1.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9770    1.8269    0.3416 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