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
2.8326 0.2238 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7077 0.7924 0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3807 0.2551 0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6996 1.1474 -0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9865 0.7246 -0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2801 1.8863 -0.4876 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2788 -0.6231 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2418 -1.5075 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0784 -1.0817 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3037 -2.2909 0.3621 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.9094 -0.7158 -0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7878 0.7435 0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6992 1.7802 0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4427 2.2181 -0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2846 -0.9826 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4852 -2.5697 -0.1386 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