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
   -2.4917    0.4085   -0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6227   -0.5841   -0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8175   -0.9818    0.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5848   -0.8702    0.6203 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1306    0.3349    0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3961    1.3319    0.2051 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5886    0.5278   -0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5828    0.0886    1.3899 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9413    2.2014   -0.4415 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9597   -0.5602   -1.3796 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0685    0.6847   -1.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6223    0.9606    0.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4790   -1.1461   -1.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0072   -2.0335    1.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0748   -0.3624    1.7741 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