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
    2.8644    0.1860    0.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8689   -0.6280   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4622   -0.2752   -0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5234   -1.2333   -0.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8647   -0.9357   -0.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3062    0.3299    0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3525    1.2825    0.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032    0.9820    0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1812    0.7374    0.0669 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6507    1.2058    0.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8973   -0.1141    0.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1302   -1.6573   -0.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1700   -2.2193   -0.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6056   -1.7142   -0.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6168    2.2967    0.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7434    1.7566    0.4801 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