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
   -2.7395    0.7838    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5791    0.5230   -0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9605   -0.8318   -0.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3093   -0.8767    0.3033 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3423   -0.1381   -0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1530    0.5843   -1.2017 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7227   -0.1409    0.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8021    0.9207   -0.4753 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3242   -1.7864    0.5739 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4921    0.5187    2.0735 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1170    1.7972    0.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2932    0.0308    0.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0291    1.2991   -0.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379   -1.5923    0.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7893   -1.0913   -1.3942 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