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
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
   -2.4991   -0.7978   -0.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8995   -0.1097    0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4735    0.0450    0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0783    1.2487    0.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4313    1.4446    0.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1075    2.9571    1.2692 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2466    0.3929    0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641   -0.8048   -0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3801   -0.9606   -0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1425   -2.5545   -0.7881 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9678   -1.3057   -1.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000   -0.9017   -0.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5664    0.3684    0.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5961    2.0494    0.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3169    0.5430    0.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4200   -1.6143   -0.4009 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