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
0.9461 1.8927 0.0915 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.2322 0.3607 0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2484 -0.4301 -0.3709 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1633 0.0608 -2.0277 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.9599 -1.9633 0.1296 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.1934 0.0791 1.6164 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