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
   -2.7377   -0.5738    0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5741    0.0041    0.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9180    0.8464   -0.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3459    0.3182   -0.8158 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3628    0.1772    0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1229    0.5411    1.2899 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6987   -0.3776   -0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162   -2.0451   -0.8352 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4223    0.5330   -1.5720 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7290   -0.3867    1.1958 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1926   -1.1761    1.0886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083   -0.4286   -0.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0831   -0.1381    1.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5313    0.7961   -1.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8526    1.9097   -0.1607 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