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
2.7894 0.0212 -0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6971 0.6790 -0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3515 0.2278 -0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0652 -1.0737 -0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0616 -2.3394 -0.6615 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.3952 -1.4222 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3467 -0.4932 0.3896 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9420 0.8204 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6458 1.1685 0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1151 2.8513 0.2245 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7682 0.4896 -0.4034 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7817 -0.9694 0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7877 1.7010 -0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6750 -2.4595 0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3755 -0.7838 0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6767 1.5825 0.6915 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