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
    2.6838   -0.5167    0.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8591    0.1928   -0.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4176    0.0925   -0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3198    1.2281   -0.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5974    2.6633   -0.8818 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6885    1.2077   -0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4220    0.0906   -0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7235   -1.0260    0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3267   -1.0102    0.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4681   -2.4877    0.6735 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7616   -0.3650    0.5617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3885   -1.2613    1.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3349    0.9425   -0.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2416    2.0937   -0.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5065    0.0685   -0.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2826   -1.9127    0.4326 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