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
   -1.3604    1.5934   -0.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9097    0.4106   -0.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3066   -0.8640   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0019   -0.7950    0.4502 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0930   -0.4091   -0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9695   -0.0899   -1.4664 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4139   -0.3881    0.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3481    0.7511    1.7450 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7503   -2.0175    1.0130 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6537    0.0737   -0.7979 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3419    1.8020   -0.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9539    2.4530   -0.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9503    0.3417   -0.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -1.2439    0.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4704   -1.6182   -0.8068 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