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
2.7374 0.2527 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7349 -0.4483 -0.5746 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3544 -0.1831 -0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1514 1.0528 0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8482 2.4805 -0.0858 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.4910 1.2611 0.4044 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3677 0.2094 0.4969 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8593 -1.0394 0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5549 -1.2596 -0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0906 -2.8448 -0.4923 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7781 0.0141 -0.4341 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6670 1.0805 0.5193 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9828 -1.3022 -1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8448 2.2572 0.6145 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3974 0.3826 0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5267 -1.9137 0.2780 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