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
   -2.7023    1.2993    0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310    1.4518    0.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6530    0.2440    0.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4492    0.0481   -0.1473 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2761   -1.0346    0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0346   -1.8041    0.9971 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4199   -1.2118   -0.8863 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3895   -2.6333   -0.5114 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4177    0.2707   -0.7268 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7654   -1.2745   -2.5480 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1436    0.3297    0.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3046    2.1510   -0.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9830    2.4370    0.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2657   -0.6736    0.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2693    0.4004    1.7800 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