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
-2.6894 -0.8873 -0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6489 -0.3206 0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9373 0.8073 -0.3735 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4223 0.5706 -0.6284 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3186 0.2419 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8048 0.1748 1.5450 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7451 -0.0142 0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6030 1.3754 -0.5347 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.5008 -0.3760 1.7324 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.9947 -1.3912 -0.9559 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.2257 -1.7257 0.0519 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0499 -0.5281 -1.3363 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3311 -0.7183 1.1724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0875 1.7024 0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4196 1.0891 -1.3481 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