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
    2.7823    0.6639    0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6338    0.3913    0.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9150   -0.8223    0.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3692   -0.6632   -0.2493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4338   -0.0805    0.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2289    0.3582    1.5247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7771    0.0375   -0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8966    0.8451    0.8322 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5870    1.0335   -1.7335 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3788   -1.5449   -0.7706 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2071   -0.0044   -0.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3868    1.5439    0.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3096    1.1204    1.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5034   -1.3865   -0.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9333   -1.4919    1.1709 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