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
    2.4805    0.6452   -0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6300   -0.0024    0.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8496   -1.1314   -0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5143   -0.8704   -0.0225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1584    0.2130   -0.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4686    1.0405   -1.2299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6278    0.3419   -0.3934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3701   -1.1215   -1.1154 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0279    0.3708    1.3573 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2792    1.8005   -1.1210 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0652    1.4691    0.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6271    0.3880   -1.3314 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5160    0.2835    1.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2215   -1.4105   -1.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0562   -2.0163    0.5601 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