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
2.7074 0.7332 -0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8164 -0.1751 0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3798 -0.0953 0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3129 -1.3092 -0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5784 -2.8181 -0.1068 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.6736 -1.3725 -0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3901 -0.1894 -0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7276 1.0031 0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3450 1.0713 0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4245 2.6391 0.3250 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7719 0.4965 0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4808 1.7027 -0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2258 -1.1296 0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1771 -2.3130 -0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4854 -0.1744 -0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2733 1.9307 0.0425 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