Monomers

4-Bromostyrene

Identifiers

IUPAC name
1-bromo-4-ethenylbenzene
InchI
InChI=1S/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InchI Key
WGGLDBIZIQMEGH-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)Br
Canonical SMILES
C=CC1=CC=C(C=C1)Br
Isomeric SMILES
C=CC1=CC=C(C=C1)Br
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H7Br
Heavy Atom Count
9
Molecular Weight
183.048
Exact Molecular Weight
181.9731
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
3.0921
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
    2.7957    0.1699   -0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8389    0.7432    0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4721    0.2758    0.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172   -0.7923   -0.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3029   -1.1799   -0.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2610   -0.5232    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8416    0.5539    0.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5271    0.9381    0.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0930   -1.0749    0.0840 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8348    0.4997   -0.4761 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5791   -0.6813   -1.1168 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0784    1.5941    0.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7579   -1.3428   -1.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5619   -2.0393   -1.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5939    1.0733    1.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1927    1.7857    1.4420 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
  6  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  7 15  1  0
  8 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers