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
2.7297 0.6237 0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8856 -0.3479 -0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4499 -0.1894 -0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1854 0.9668 0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5770 1.0606 0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2794 2.5838 0.8643 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3751 -0.0186 0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7565 -1.1869 -0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3829 -1.2773 -0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4035 -2.7794 -0.8461 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8161 0.4486 -0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3759 1.5966 0.3794 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3051 -1.3061 -0.4838 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4247 1.8472 0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4736 0.0419 0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3607 -2.0635 -0.5197 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