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
   -2.8042   -0.4423    0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9913    0.2854    0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8736   -0.3577   -0.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3259    0.2157   -0.0992 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5799   -0.1458   -0.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6961   -1.0187   -1.4257 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7425    0.5733    0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7748    0.2940    1.8220 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2713    0.0565   -0.6280 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5769    2.3452   -0.1668 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6371    0.0304    1.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7151   -1.5129    1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1288    1.3460    0.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.4539   -0.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9921   -0.2152   -1.6753 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