Monomers
2,5-Dichlorostyrene
Identifiers
IUPAC name
1,4-dichloro-2-ethenylbenzene
InchI
InChI=1S/C8H6Cl2/c1-2-6-5-7(9)3-4-8(6)10/h2-5H,1H2
InchI Key
IZMZREOTRMMCCB-UHFFFAOYSA-N
SMILES
C=Cc1cc(Cl)ccc1Cl
Canonical SMILES
C=CC1=C(C=CC(=C1)Cl)Cl
Isomeric SMILES
C=CC1=C(C=CC(=C1)Cl)Cl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H6Cl2
Heavy Atom Count
10
Molecular Weight
173.042
Exact Molecular Weight
171.9847
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
3.6364
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
16 16 0 0 0 0 0 0 0 0999 V2000
2.6190 0.8365 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8854 -0.2437 0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4424 -0.2039 0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2626 0.9764 -0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6589 1.0267 -0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5120 2.5466 -0.2143 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3173 -0.1778 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6061 -1.3704 0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2474 -1.4200 0.1222 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6799 -2.8925 0.2470 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7158 0.8035 -0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1749 1.8126 -0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4174 -1.1821 0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2191 1.9460 -0.1676 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4025 -0.1505 0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1470 -2.3075 0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 1 0
5 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
9 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
4 14 1 0
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers