Monomers

2,4-Dibromostyrene

Identifiers

IUPAC name
2,4-dibromo-1-ethenylbenzene
InchI
InChI=1S/C8H6Br2/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2
InchI Key
NTHFKMZKTASAMH-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1Br)Br
Canonical SMILES
C=CC1=C(C=C(C=C1)Br)Br
Isomeric SMILES
C=CC1=C(C=C(C=C1)Br)Br
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H6Br2
Heavy Atom Count
10
Molecular Weight
261.944
Exact Molecular Weight
259.8836
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
3.8546
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
   -2.8442    0.1317   -0.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8191   -0.6503   -0.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4183   -0.2419   -0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4425   -1.0915    0.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807   -0.8479    0.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3244    0.2899    0.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4864    1.1291   -0.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1275    0.8901   -0.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9544    2.0853   -1.6220 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1929    0.7020    0.4818 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8420   -0.3376   -0.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7536    1.1920   -0.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9850   -1.7569   -0.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0272   -1.9892    1.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004   -1.5359    1.3817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8889    2.0309   -0.8571 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  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  6 10  1  0
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  5 15  1  0
  7 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers