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
   -2.8224    0.2470   -1.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9570   -0.5366   -0.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9675    0.0331    0.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3777   -0.2642   -0.0314 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4515    0.1922    0.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1577    0.8709    1.7342 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8734   -0.0862    0.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9169    0.6850    1.5643 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2741    0.5229   -1.2655 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2266   -1.8269    0.3630 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8145    1.3224   -1.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5529   -0.1921   -1.8714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9963   -1.6083   -0.6971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1066    1.1095    0.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0606   -0.4686    1.3765 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