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
   -2.1648   -0.6147   -1.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6357    0.3621   -0.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1047    0.0897    0.7329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2660    0.4293    0.7175 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1887   -0.1620   -0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8081   -1.0426   -0.8995 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6020    0.3117   -0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1418    0.0053    1.6537 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6093   -0.5486   -1.1947 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5922    2.0525   -0.3765 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2258   -1.6245   -0.9679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5473   -0.4089   -2.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5633    1.3787   -0.9873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6811    0.7370    1.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2854   -0.9649    0.9977 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