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
   -2.7362    0.8198    0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6468    0.1679    0.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9209   -0.6590   -0.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4098   -0.2696   -0.5864 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3232   -0.2676    0.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8964   -0.6284    1.5777 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7325    0.1228    0.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9154    1.8025   -0.2299 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5910   -0.1712    1.8253 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4516   -0.9723   -0.9107 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2518    1.4216    0.9899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0772    0.7362   -0.7767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2702    0.2262    1.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9879   -1.7205    0.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.6086   -1.3666 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