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
2.7137 -0.3079 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7886 0.4521 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3746 0.1998 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5028 1.2827 0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1142 2.9327 0.1920 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.8466 1.0450 0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3958 -0.2185 0.2429 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5097 -1.2659 0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1220 -1.0730 0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 -2.5291 -0.0377 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7502 0.0493 -0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5983 -1.2460 -1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1038 1.4157 0.4698 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5211 1.9092 0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4720 -0.3686 0.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9156 -2.2773 0.1293 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