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
   -3.0154   -0.0915    0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8919    0.5423   -0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7404   -0.1261   -0.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3550   -0.0550    0.1493 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5615   -0.6091   -0.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080   -1.1602   -1.3628 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7516   -0.5525    0.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1456    1.1704    0.9702 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1131   -1.3923   -0.0945 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3715   -1.3431    2.2137 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8419    0.4024    0.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1062   -1.1295   -0.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7898    1.6019    0.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0185   -1.1465   -1.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5022    0.5021   -1.6177 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