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
-2.5032 -0.0689 -0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6203 -0.5086 0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7198 0.4355 0.8717 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6570 0.1324 0.6006 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1439 0.1351 -0.7092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2801 0.4211 -1.5972 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5325 -0.1633 -1.0627 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0277 -1.7950 -0.5574 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.6843 1.0070 -0.3804 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6917 -0.0975 -2.8323 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.5804 0.9873 -0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1874 -0.7386 -1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5656 -1.5673 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8811 0.3569 1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9594 1.4637 0.5384 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