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
   -2.7634   -0.5370   -0.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6533   -0.4663    0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9399    0.7983    0.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3766    0.7964   -0.3293 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3973    0.0145    0.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0900   -0.7340    1.1184 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7803    0.0174   -0.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    1.5980   -0.1903 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7873   -0.5791   -2.0033 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7238   -1.1296    0.6532 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3555   -1.4561   -0.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1619    0.3177   -1.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3424   -1.3775    0.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0158    1.1767    1.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4820    1.5607   -0.4590 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