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
   -2.8146   -0.2879    0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8426    0.2685    0.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4558    0.1389    0.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5609    0.7569    1.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8790    0.6578    0.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2706   -0.0568   -0.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2797   -0.6645   -1.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0557   -0.5736   -0.8289 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1170   -0.2025   -0.9523 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8469   -0.1639    0.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6752   -0.8646   -0.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0774    0.8491    1.5715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.3246    1.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6795    1.1388    1.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5430   -1.2373   -2.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8157   -1.0832   -1.4520 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