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
   -3.0419    0.1202   -0.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9523   -0.5322   -0.5514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7880   -0.5714    0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3726   -0.0182   -0.2345 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5909    0.0488    0.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6083   -0.4107    1.5933 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8094    0.6286   -0.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235    0.5150    1.0151 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5183    2.3481   -0.4964 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2989   -0.2362   -1.6395 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0954    0.6425    0.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9267    0.1783   -0.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9286   -1.0338   -1.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6341   -1.6445    0.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9549   -0.0345    1.3007 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