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
2.5788 1.0107 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7334 0.2638 -0.6731 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3704 0.0328 -0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3950 0.8889 0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2266 2.4587 0.9576 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.7026 0.5580 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 -0.6299 0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5233 -1.4872 -0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2445 -1.1877 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7030 -2.3086 -1.5757 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.6201 1.1489 -0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4183 1.5499 0.8678 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0988 -0.2321 -1.5988 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2911 1.2653 1.4614 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3034 -0.8879 0.8057 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9929 -2.4439 -0.5206 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