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
2.5931 -0.5678 0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8268 0.0283 -0.3398 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3786 0.0338 -0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2947 -1.0300 0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4593 -2.5498 0.8023 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.6867 -0.9033 0.4339 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3313 0.2425 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6532 1.3190 -0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2923 1.2025 -0.6106 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6066 2.5437 -1.2776 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.2398 -1.0897 1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6904 -0.5255 0.3634 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3107 0.5284 -1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2217 -1.7554 0.8533 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4138 0.3258 0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2115 2.1975 -0.7881 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