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
    2.4608    0.4879    0.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6944   -0.5062    0.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9072   -0.4506   -0.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4826   -0.5908   -0.6426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2198    0.2819    0.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5792    1.2279    0.6657 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6965    0.1031    0.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4521    0.1893   -1.2616 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8886   -1.5400    1.0429 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3486    1.2687    1.4763 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0162    0.3939    1.7189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    1.4234    0.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6490   -1.3944    1.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1582    0.4387   -1.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1987   -1.3329   -1.4966 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