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
-1.3302 1.4361 -0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3988 0.4502 -1.4521 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8126 -0.8755 -1.1591 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1767 -1.0043 0.0681 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9908 -0.3074 0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4553 0.4374 -0.5397 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6953 -0.3941 1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2012 -2.0911 1.9456 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.1206 0.6635 1.5919 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.6196 0.0639 3.0089 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.8494 1.3213 0.3546 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7729 2.3974 -0.8494 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9125 0.6407 -2.4107 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6744 -1.5951 -1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1553 -1.1430 -2.0269 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