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
   -2.6429    0.5801   -1.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0740    0.2303   -0.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7278    0.7182   -0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1893   -0.3725    0.1602 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5028   -0.0910    0.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8448    1.1054    0.5903 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5142   -1.1443    0.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6325   -2.0783   -0.8276 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1073   -2.2033    2.0500 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -0.4386    1.0011 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250    1.2186   -2.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6265    0.2215   -1.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5754   -0.4230    0.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3559    1.3394   -0.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7675    1.3377    0.9027 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