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
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
-2.3413 0.2019 0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2005 0.2424 -0.3939 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8574 0.1293 -0.9787 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1086 -0.0126 0.0383 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4359 -0.1329 -0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6966 -0.1080 -1.5616 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5317 -0.2868 0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0691 -0.4074 -0.2232 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4996 1.1546 1.6969 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.2888 -1.7736 1.6173 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.4753 0.0870 1.5328 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3332 0.2864 1.3216 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0622 0.3582 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5799 1.0247 -1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7805 -0.7632 -1.6591 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