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
   -2.5355    1.0429   -0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8813   -0.0904   -0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4541   -0.1430   -0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2980    0.9628    0.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6753    0.8776    0.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6093    2.3285    0.6669 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2580   -0.3514    0.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5130   -1.4796    0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1648   -1.3778   -0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7742   -2.8439   -0.4841 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0225    1.9713   -0.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6237    1.0266   -0.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4644   -1.0032   -0.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1023    1.9655    0.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3341   -0.4271    0.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0054   -2.4588   -0.0521 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