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
2.7713 0.1422 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6932 0.7161 -0.3044 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3497 0.2062 -0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0098 -1.1130 -0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2159 -2.3675 -0.1526 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.3415 -1.4786 0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3403 -0.5179 0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0123 0.8085 0.0769 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7068 1.1370 -0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2826 2.8438 -0.2377 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7762 0.5996 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7916 -0.7879 0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8021 1.6810 -0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5654 -2.5509 0.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3613 -0.8648 0.3276 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7799 1.5462 0.1218 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