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
cid=

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
   -2.7404    0.1096   -0.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7229    0.7039    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3622    0.2254    0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6764    1.1773    0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1972    2.8532    0.3080 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9896    0.7852    0.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3780   -0.5298   -0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3753   -1.4675   -0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230   -1.0801    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2087   -2.3384   -0.0156 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7401    0.5560   -0.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7312   -0.7724   -0.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9091    1.6361    0.8066 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7703    1.5280    0.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4058   -0.8591   -0.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5988   -2.5273   -0.1616 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