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
   -2.4417   -0.9351   -0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2104    0.3485   -0.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8397    0.9263   -0.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1498   -0.0411   -0.1787 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4852    0.3537   -0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7211    1.5750   -0.3379 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5974   -0.5848    0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6769   -1.8674   -1.1491 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3996   -1.2851    1.7124 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1215    0.3264    0.0874 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6373   -1.6553   -0.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4675   -1.2823   -0.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0420    1.0140   -0.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6872    1.3804   -1.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8256    1.7269    0.3913 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