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
-2.1648 -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