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
2.7422 0.5189 -0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8404 -0.1699 0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4038 -0.0893 0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3911 -1.2241 0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4745 -2.6405 1.1083 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.7552 -1.2311 0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4044 -0.0940 -0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6682 1.0325 -0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2951 1.0073 -0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5482 2.4863 -0.5193 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8023 0.3584 0.1199 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5223 1.2335 -0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1885 -0.8960 1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3389 -2.1144 0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4860 -0.1193 -0.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1834 1.9417 -0.6796 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