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
   -2.6981   -0.3675    0.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6459   -0.4203   -0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9502    0.8152   -0.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4103    0.8469   -0.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3309   -0.0614   -0.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9159   -0.9606   -1.2689 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7627   -0.0673   -0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6153    1.3975   -0.5564 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8259   -0.2086    1.6839 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5955   -1.4898   -0.7649 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2637   -1.2224    1.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0548    0.5970    1.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3698   -1.4142   -0.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5214    1.6759   -0.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9527    0.8796   -1.5310 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