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
-2.7425 -0.2303 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7805 0.5013 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3701 0.2054 -0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5559 1.2425 -0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0584 2.8841 -0.1918 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.9045 1.0503 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3677 -0.2490 0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4935 -1.3074 0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1227 -1.0727 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8788 -2.5050 -0.1521 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.5830 -1.1085 0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8033 0.0154 -0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0951 1.3864 -0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5655 1.9150 0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4265 -0.3998 0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8753 -2.3277 0.1860 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