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
   -2.1709    1.8223    0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5854    0.6489    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6287    0.1173    1.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6475   -0.1196    0.4889 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9029   -0.9958   -0.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0562   -1.6027   -1.0460 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3138   -1.1387   -1.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4772   -2.2777   -2.3346 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8771    0.4987   -1.4450 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3494   -1.7033    0.3331 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9292    2.3931    1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726    2.2353   -0.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8073    0.0558   -0.8435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4835    0.8623    1.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0340   -0.7960    1.5460 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