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
1.5173 -1.3542 -0.6593 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.6928 -0.0348 0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5875 0.1807 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4367 1.4661 0.7789 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.4749 -0.8161 -1.1532 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.2890 0.5582 0.8775 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