Monomers
2,6-Dichlorostyrene
Identifiers
IUPAC name
1,3-dichloro-2-ethenylbenzene
InchI
InChI=1S/C8H6Cl2/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2
InchI Key
YJCVRMIJBXTMNR-UHFFFAOYSA-N
SMILES
C=Cc1c(Cl)cccc1Cl
Canonical SMILES
C=CC1=C(C=CC=C1Cl)Cl
Isomeric SMILES
C=CC1=C(C=CC=C1Cl)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
2.7227 -0.6389 0.2651 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7687 0.2037 0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3627 0.1233 0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3141 -1.0453 0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4926 -2.6016 0.2593 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.6698 -1.0573 -0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3815 0.1026 -0.5015 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6871 1.2861 -0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3646 1.3213 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4957 2.8515 0.2254 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7637 -0.4206 0.5796 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5733 -1.5652 -0.2509 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0595 1.1380 1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1580 -2.0132 -0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4283 0.1057 -0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2355 2.2099 -0.4617 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
4 6 1 0
6 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
6 14 1 0
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers