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

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
   -1.3302    1.4361   -0.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3988    0.4502   -1.4521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8126   -0.8755   -1.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1767   -1.0043    0.0681 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9908   -0.3074    0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4553    0.4374   -0.5397 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6953   -0.3941    1.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2012   -2.0911    1.9456 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1206    0.6635    1.5919 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6196    0.0639    3.0089 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8494    1.3213    0.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7729    2.3974   -0.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    0.6407   -2.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6744   -1.5951   -1.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1553   -1.1430   -2.0269 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