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
   -2.8245    0.3586    0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6316    0.2210   -0.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8701   -1.0394   -0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3822   -0.9198    0.3166 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3867   -0.0701   -0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1364    0.6106   -1.1439 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6918    0.0832    0.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5892    0.6449    2.1949 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7064    1.1700   -0.4490 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4563   -1.5442    0.5631 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2723   -0.4793    0.6689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3664    1.2843    0.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1438    1.0515   -0.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4851   -1.7945    0.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552   -1.4128   -1.3847 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