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
    2.7227   -0.6389    0.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7687    0.2037    0.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3627    0.1233    0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3141   -1.0453    0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4926   -2.6016    0.2593 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6698   -1.0573   -0.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3815    0.1026   -0.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6871    1.2861   -0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3646    1.3213    0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4957    2.8515    0.2254 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7637   -0.4206    0.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5733   -1.5652   -0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.1380    1.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1580   -2.0132   -0.4476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4283    0.1057   -0.7652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2355    2.2099   -0.4617 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