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
   -2.7090    0.0274   -0.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6735    0.1266   -0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7928   -1.0328    0.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5335   -0.7705   -0.1839 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2700    0.2601    0.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7395    0.9986    1.1924 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629    0.5477   -0.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6232   -0.9065    0.3124 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2434    1.9341    0.8654 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7767    0.9489   -1.8017 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3236    0.8651   -1.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9305   -0.9237   -1.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4297    1.0756    0.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1118   -1.9435   -0.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8784   -1.2072    1.3079 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