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
   -2.6472    0.6369    0.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6056   -0.1276    0.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0179   -0.2823   -0.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3224    0.1532   -0.8434 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3057   -0.3873   -0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9888   -1.3549    0.6809 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7086    0.1056   -0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7593    1.8293    0.4666 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6421   -0.7918    1.1805 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4619    0.0079   -1.6425 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1100    1.1846   -0.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0713    0.7492    1.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1454   -0.6736    1.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5667    0.3261   -1.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0247   -1.3753   -1.1795 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