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
   -2.9677    0.4934   -0.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9544   -0.3062   -0.6413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8729   -0.4719    0.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3558   -0.0619   -0.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5237   -0.1280    0.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4407   -0.5607    1.6566 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8492    0.2802   -0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0940    0.0504    1.1471 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2905   -0.6922   -1.4997 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7538    2.0120   -0.5567 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9960    1.0246    0.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7598    0.6078   -1.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9020   -0.8487   -1.5706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7767   -1.5317    0.6988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0784    0.1330    1.2376 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