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
    2.9012   -0.9849   -0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9290   -0.3700    0.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9364    0.4920   -0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3711   -0.0410    0.1388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862    0.5722   -0.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2928    1.6131   -1.0801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8550    0.0520   -0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0153    1.1002   -1.0355 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2861    0.0184    1.5317 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0506   -1.5946   -0.8439 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6094   -1.6073    0.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9716   -0.8500   -1.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8713   -0.5104    1.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1677    0.5642   -1.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9706    1.5460    0.3148 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