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
   -2.7724   -0.7387   -0.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6646   -0.0933   -0.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9313    0.6472    0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3818    0.2758    0.6530 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4085    0.2805   -0.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    0.6566   -1.4121 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7906   -0.1138   -0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7620   -1.8236    0.5395 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7523   -0.0644   -1.4911 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5455    0.8426    1.2817 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3730   -1.3109   -0.9288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1469   -0.7269    0.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4046   -0.1864   -1.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9455    1.7370    0.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4904    0.6182    1.3652 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