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
   -2.5019   -1.2183    0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8323   -0.1565    0.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4499    0.0607    0.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -0.8060   -0.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6261   -0.5358   -0.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4973   -1.6959   -1.8786 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    0.6161   -0.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5181    1.4937    0.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2093    1.2243    0.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7417    2.3396    1.5947 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0432   -1.9845   -0.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5439   -1.3946    0.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3737    0.5716    1.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1691   -1.7325   -0.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2826    0.7960   -0.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9778    2.4219    0.6385 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