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
   -2.2770    0.8323   -0.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7822   -0.1671   -0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9308    0.0813    1.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3657   -0.4754    0.9181 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1840   -0.0720   -0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7176    0.7811   -0.9258 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5722   -0.6269   -0.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2821    0.1353   -1.7394 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5966   -0.2525    1.0948 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4924   -2.3850   -0.5550 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9244    0.6672   -1.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0354    1.8439   -0.5166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0195   -1.1725   -0.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8769    1.1798    1.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3644   -0.3696    1.9720 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