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
    2.7694    0.6396   -0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642    0.1285    0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9043   -0.8442   -0.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4124   -0.4206   -0.7476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3425   -0.1425    0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9248   -0.2963    1.4314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7271    0.3031   -0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5893   -0.9346   -1.0343 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6393    0.4619    1.4630 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7950    1.8060   -0.9580 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3492    1.3530    0.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.3476   -1.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3170    0.4284    1.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9071   -1.8414    0.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4094   -0.9885   -1.4354 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