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
-2.6664 0.2949 0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7695 -0.3075 -0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3407 -0.1304 -0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1669 1.0574 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8026 2.4757 0.4728 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.5397 1.1662 0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3595 0.0862 0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8217 -1.0987 -0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4835 -1.2314 -0.4418 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2681 -2.7293 -0.9632 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.5385 0.9906 1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7380 0.0861 0.1503 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0651 -1.0113 -1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9249 2.1218 0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4422 0.1860 0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4504 -1.9562 -0.4518 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