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
    0.7372    2.0787   -1.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    1.0760   -1.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3629    0.2079   -0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7617   -1.1423   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0368   -1.9944    0.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5482   -3.6695    0.9082 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0915   -1.5444    1.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5116   -0.2420    1.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7588    0.6237    0.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3016    2.2689    0.3528 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4334    2.6815   -2.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2770    2.3758   -1.7825 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2721    0.8439   -1.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6486   -1.4527   -0.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6519   -2.2532    2.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3878    0.1421    1.7547 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