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
    2.7504   -0.4859    0.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7232    0.1429    0.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3603    0.0581    0.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4810    1.1351    0.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1622    2.5217    1.6955 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8026    1.1614    0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3582    0.1151   -0.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5407   -0.9490   -0.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1946   -0.9788   -0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7419   -2.3989   -0.5853 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7257   -0.3259    0.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7599   -1.1418   -0.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9189    0.8044    1.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4604    1.9984    0.6475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3983    0.1467   -0.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9067   -1.8036   -1.1160 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