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
   -2.6809    0.7505   -0.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5714    0.0219   -0.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9438   -0.6602    0.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3644   -0.1663    0.6383 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2948   -0.3277   -0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9693   -0.9132   -1.4269 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875    0.1989   -0.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5984   -0.1803   -1.6927 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5422    1.9850   -0.1214 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4710   -0.4482    1.2349 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1247    1.2395   -1.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1112    0.8279    0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1532   -0.0485   -1.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5011   -0.5139    1.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8412   -1.7654    0.2692 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