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
   -2.9465    0.4592   -0.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8893   -0.2845   -1.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8520   -0.4872   -0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4183   -0.0221   -0.4148 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4948   -0.1468    0.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2732   -0.6727    1.5716 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8569    0.3007    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406   -0.0338    1.5029 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4593   -0.4122   -1.3717 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7918    2.0873   -0.0418 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7428    0.6489   -1.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0806    0.9417    0.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7897   -0.7407   -2.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7854   -1.5955    0.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1487   -0.0421    0.9763 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