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
    1.9310   -0.6366    0.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5067    0.2076    1.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3403    1.0714    1.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3775    0.9652    0.0731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0220   -0.2198   -0.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9455   -1.1606    0.5978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7797   -0.3483   -1.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4736   -1.9713   -1.5894 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1069    0.8336   -1.4956 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7400    0.0036   -2.9163 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8152   -1.2612    0.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4555   -0.7625   -0.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0817    0.2676    2.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6854    2.1199    1.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3707    0.8913    2.1360 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