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
2.7870 0.2009 0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6433 0.7466 0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3330 0.2104 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0186 -1.1048 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2216 -2.3566 0.1993 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.2802 -1.5138 -0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2986 -0.5960 -0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0032 0.7361 -0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7253 1.1269 0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4089 2.8247 0.3568 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7338 0.7153 0.5606 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -0.7485 -0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6880 1.7460 1.0219 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5206 -2.5602 -0.4091 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3119 -0.8767 -0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8276 1.4498 -0.2684 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