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
   -2.9325   -0.5476   -0.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9079    0.2070   -0.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8643    0.5263    0.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3643    0.0285   -0.2074 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5286    0.1728    0.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4407    0.7666    1.6264 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8479   -0.3340    0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0897    0.0433    1.2239 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7503   -2.0674   -0.3298 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2196    0.5960   -1.4674 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7057   -0.7979   -1.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0327   -0.9471    0.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8158    0.6012   -1.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1423    0.1140    1.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8399    1.6384    0.4108 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