Monomers

2,5-Dichlorostyrene

Identifiers

IUPAC name
1,4-dichloro-2-ethenylbenzene
InchI
InChI=1S/C8H6Cl2/c1-2-6-5-7(9)3-4-8(6)10/h2-5H,1H2
InchI Key
IZMZREOTRMMCCB-UHFFFAOYSA-N
SMILES
C=Cc1cc(Cl)ccc1Cl
Canonical SMILES
C=CC1=C(C=CC(=C1)Cl)Cl
Isomeric SMILES
C=CC1=C(C=CC(=C1)Cl)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
   -2.7648   -0.1966    0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6959   -0.8284   -0.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3615   -0.2766   -0.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6960   -1.1519    0.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9856   -0.7188    0.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3129   -1.7760    0.7790 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2435    0.6205    0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221    1.4810   -0.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1079    1.0460   -0.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3399    2.1858   -0.8057 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7669    0.7919    0.4831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7538   -0.6525   -0.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7991   -1.8598   -0.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4546   -2.1933    0.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2748    0.9989    0.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4004    2.5297   -0.4070 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
  5  6  1  0
  5  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
  4 14  1  0
  7 15  1  0
  8 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers