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
   -2.6894   -0.8873   -0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6489   -0.3206    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9373    0.8073   -0.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4223    0.5706   -0.6284 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3186    0.2419    0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8048    0.1748    1.5450 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7451   -0.0142    0.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030    1.3754   -0.5347 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5008   -0.3760    1.7324 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9947   -1.3912   -0.9559 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2257   -1.7257    0.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0499   -0.5281   -1.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3311   -0.7183    1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    1.7024    0.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4196    1.0891   -1.3481 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