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
   -2.6066    0.7748    0.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8713   -0.1511   -0.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4331   -0.1433   -0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2717    0.8413    0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6700    0.8390    0.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5344    2.1152    1.3983 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2968   -0.2089   -0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6128   -1.2183   -0.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2328   -1.2014   -0.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6591   -2.4696   -1.5543 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7090    0.7685    0.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2054    1.6154    0.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4212   -0.9545   -0.6748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2339    1.6682    1.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3918   -0.2266   -0.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -2.0486   -1.1982 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