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
1.9904 -1.9588 -0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5890 -0.8013 -0.5707 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3556 -0.1340 -0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8043 -0.7294 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9193 -2.4792 0.1964 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.9355 0.0262 0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9256 1.3958 0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7625 2.0153 0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3439 1.2709 -0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8180 2.0601 -0.7554 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.9310 -2.4167 -0.4244 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4189 -2.5187 0.5743 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2854 -0.3094 -1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8200 -0.5110 0.8152 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8046 1.9940 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7606 3.0960 0.0585 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