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
   -2.6619    0.4316   -0.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5798   -0.2459   -0.6243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0416   -0.1471    0.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2971    0.3530    0.7586 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3331   -0.3048    0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0213   -1.3685   -0.5017 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7346    0.2113    0.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7377   -0.9115   -0.8085 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3513    0.2087    1.8122 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8830    1.8128   -0.5695 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1637    1.0705   -0.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0881    0.3779   -1.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0992   -0.8698   -1.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6223    0.5322    1.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1013   -1.1504    1.2097 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