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
   -2.4251   -0.5817   -1.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9441   -0.2678   -0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6652   -0.8315    0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2174    0.2441    0.2718 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5074    0.0328    0.7325 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8851   -1.1383    0.9318 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3355    1.2451    0.9498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4936    2.2402    2.1629 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9807    0.8579    1.4270 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2949    2.1702   -0.5863 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3515   -0.1971   -2.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8746   -1.2688   -2.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4769    0.4064    0.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1922   -1.5028   -0.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7851   -1.4087    0.9863 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