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
    2.5995    0.2293    0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440   -0.1973   -0.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6707   -1.2247   -0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6686   -0.7757   -0.3856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1482    0.2894    0.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3086    0.8681    1.1154 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5650    0.7432    0.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6657   -0.5702    0.7819 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7819    2.0766    1.4511 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0130    1.2972   -1.3189 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3231    0.9717   -0.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6518   -0.2040    1.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6059    0.2454   -1.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7391   -2.0485   -1.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9168   -1.7005    0.6263 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