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
    1.6381   -2.2630    0.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3413   -1.0835    0.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3632   -0.1995    0.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3129    0.6244    1.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2581    1.5294    0.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5575    1.6412   -0.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9064    0.8457   -1.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0629   -0.0829   -1.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9837   -1.1365   -2.3520 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8824    2.9065   -1.1688 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4164   -2.8786    0.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1723   -2.7330   -0.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9273   -0.7877    1.7266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0726    0.5295    2.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7993    2.1798    1.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1158    0.9082   -2.5187 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