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
-2.2770 0.8323 -0.8211 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7822 -0.1671 -0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9308 0.0813 1.0328 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3657 -0.4754 0.9181 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1840 -0.0720 -0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7176 0.7811 -0.9258 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5722 -0.6269 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2821 0.1353 -1.7394 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.5966 -0.2525 1.0948 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4924 -2.3850 -0.5550 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.9244 0.6672 -1.6997 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0354 1.8439 -0.5166 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0195 -1.1725 -0.4205 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8769 1.1798 1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3644 -0.3696 1.9720 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