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
   -2.5032   -0.0689   -0.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6203   -0.5086    0.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7198    0.4355    0.8717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6570    0.1324    0.6006 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1439    0.1351   -0.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2801    0.4211   -1.5972 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5325   -0.1633   -1.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0277   -1.7950   -0.5574 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6843    1.0070   -0.3804 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -0.0975   -2.8323 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5804    0.9873   -0.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1874   -0.7386   -1.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5656   -1.5673    0.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8811    0.3569    1.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9594    1.4637    0.5384 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