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
   -2.6129    0.7975    0.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9234   -0.1545   -0.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621   -0.1422   -0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2806    0.8181    0.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6802    0.8005    0.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4865    2.0999    1.4319 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3545   -0.2323   -0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6173   -1.2061   -0.6764 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2526   -1.1792   -0.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6630   -2.4289   -1.5500 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1840    1.6410    0.9206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7119    0.7528    0.2924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4547   -0.9408   -0.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2508    1.6442    1.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4217   -0.2607    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1694   -2.0094   -1.1521 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