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
2.6838 -0.5167 0.6366 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8591 0.1928 -0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4176 0.0925 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3198 1.2281 -0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5974 2.6633 -0.8818 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.6885 1.2077 -0.5161 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4220 0.0906 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7235 -1.0260 0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3267 -1.0102 0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4681 -2.4877 0.6735 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7616 -0.3650 0.5617 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3885 -1.2613 1.3478 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3349 0.9425 -0.7704 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2416 2.0937 -0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5065 0.0685 -0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2826 -1.9127 0.4326 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