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
   -2.6513    0.9251    0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5028    0.3455    0.7499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0090   -0.8402   -0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2235   -0.5864   -0.6750 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3297   -0.2663    0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1985   -0.2113    1.3211 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6648    0.0156   -0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508    0.3892    0.7168 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5488    1.4402   -1.6097 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2109   -1.4138   -1.4194 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2481    0.5247   -0.3362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9973    1.7686    1.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9113    0.7436    1.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9221   -1.6673    0.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7851   -1.1673   -0.7618 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