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
   -2.7316    0.4648    0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8560   -0.4205   -0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4252   -0.2194   -0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1327    0.9711    0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5251    1.1304    0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2682    2.6392    0.6563 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3177    0.1149   -0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7643   -1.0815   -0.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3921   -1.2308   -0.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2665   -2.7804   -1.1640 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7761    0.2252    0.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241    1.4332    0.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2463   -1.3918   -0.4741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    1.8043    0.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3903    0.2413   -0.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3854   -1.9000   -1.0588 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