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
    2.7597   -0.1999   -0.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7306    0.2158    0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8075   -0.7318    0.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5222   -0.6478    0.2138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3450    0.4226    0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9055    1.4549    0.8647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7358    0.3921   -0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6721    0.0646   -1.9095 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5477   -0.9711    0.6892 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5896    1.9136    0.1384 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9222   -1.2590   -0.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4482    0.4840   -1.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6071    1.2807    0.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9022   -0.6476    1.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1403   -1.7710    0.4180 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