Monomers
Trichloroethylene
Identifiers
IUPAC name
1,1,2-trichloroethene
InchI
InChI=1S/C2HCl3/c3-1-2(4)5/h1H
InchI Key
XSTXAVWGXDQKEL-UHFFFAOYSA-N
SMILES
ClC=C(Cl)Cl
Canonical SMILES
C(=C(Cl)Cl)Cl
Isomeric SMILES
C(=C(Cl)Cl)Cl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C2HCl3
Heavy Atom Count
5
Molecular Weight
131.389
Exact Molecular Weight
129.9144
Valence Electrons
30
Radical Electrons
0
tPSA
0.0
MolLogP
2.5017
H Bond Acceptors
0
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
6 5 0 0 0 0 0 0 0 0999 V2000
1.4336 -0.0224 -1.6164 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.3022 -0.5144 -0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3381 0.3257 0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1246 2.0436 0.2366 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.4443 -0.2305 1.6165 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.1711 -1.6021 -0.2682 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
3 5 1 0
2 6 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers