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
    2.4753   -0.3643    0.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7365    0.2879   -0.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7860   -0.3899   -1.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5344    0.0275   -0.9871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1908   -0.1264    0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5233   -0.6598    1.1441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5966    0.3023    0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6871   -0.5628   -0.6753 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7507    2.0418    0.0817 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1297   -0.0621    2.0855 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4555   -1.4457    0.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1451    0.1890    1.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8109    1.3644   -0.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9219   -1.4889   -1.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0814   -0.0612   -2.1929 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