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
   -2.7759    0.3840    0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6558    0.8135    0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    0.2333    0.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7521    1.0839    0.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0196    0.6387   -0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3815    1.7544   -0.0092 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2613   -0.6827   -0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1803   -1.5262   -0.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1204   -1.0757   -0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4440   -2.2318   -0.1178 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8825   -0.4326   -0.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7296    0.8705    0.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7226    1.6670    1.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5589    2.1282    0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -1.0348   -0.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2921   -2.5898   -0.6090 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