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
   -2.5176   -0.3420    0.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1436    0.4217   -0.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7490    0.8270   -0.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1489    0.3114    0.0426 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5011    0.6045   -0.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8632    1.3306   -1.0215 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5107    0.1037    0.9103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5008   -1.6930    0.8994 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1003    0.7397    0.4973 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1345    0.5997    2.5744 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5461   -0.6190    0.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793   -0.7048    1.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8927    0.7774   -1.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4060    0.4456   -1.9056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7252    1.9478   -0.8936 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