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
cid=

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
   -2.7616   -0.5456    0.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9239    0.3350    0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4804    0.1650   -0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1826   -0.9576    0.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5729   -1.0924    0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3295   -0.0816   -0.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6857    1.0499   -0.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3200    1.1755   -0.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5405    2.7558   -1.1993 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2371   -0.2695   -0.3458 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8307   -0.3919    0.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3746   -1.4704    0.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3643    1.2680   -0.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4040   -1.7644    0.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0339   -2.0001    0.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3184    1.8244   -1.0901 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