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
1.6756 1.2578 0.3070 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.6437 -0.1530 0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5855 -0.0364 -0.1937 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1514 1.5292 -0.7241 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.5915 -1.4670 -0.2332 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.0091 -1.1305 0.5897 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