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
-2.6574 -0.6079 0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7912 0.2566 0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3742 0.1174 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3942 1.2899 0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4170 2.8171 0.3727 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.7545 1.2630 -0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3653 0.0579 -0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6360 -1.0943 -0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2472 -1.0621 -0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6662 -2.5380 -0.4934 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.7106 -0.3268 0.5806 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4155 -1.5915 0.8126 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2260 1.2582 -0.1577 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3230 2.2004 -0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4496 0.0226 -0.5345 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0885 -2.0627 -0.7075 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