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
   -2.3334   -0.0233    0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6368    0.5604   -0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9762   -0.2324   -1.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4102    0.0395   -1.0314 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1585   -0.2434    0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5651   -0.7585    1.0754 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106    0.0729    0.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4737   -0.8029   -1.1457 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2198   -0.3315    1.7446 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8246    1.8265   -0.1028 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7952    0.5685    1.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4819   -1.1062    0.9713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5367    1.6286   -0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2928    0.0976   -2.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2094   -1.2958   -1.0024 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