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
    2.8793   -0.0624   -1.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9768    0.6383   -0.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9243   -0.0444    0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3785    0.3066   -0.0537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4697   -0.2656    0.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2670   -1.0679    1.5216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8680    0.0275    0.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0870   -0.4555   -1.5230 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2545    1.7514    0.3601 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9844   -0.8756    1.2365 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8632   -1.1460   -1.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6661    0.4167   -1.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0059    1.7219   -0.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    0.2105    1.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0070   -1.1556    0.2527 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