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
   -2.3413    0.2019    0.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2005    0.2424   -0.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574    0.1293   -0.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1086   -0.0126    0.0383 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4359   -0.1329   -0.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6966   -0.1080   -1.5616 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -0.2868    0.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0691   -0.4074   -0.2232 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4996    1.1546    1.6969 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2888   -1.7736    1.6173 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4753    0.0870    1.5328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3332    0.2864    1.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0622    0.3582   -1.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5799    1.0247   -1.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7805   -0.7632   -1.6591 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