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
   -2.8023    0.4337    0.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9271   -0.4915    0.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4972   -0.2388   -0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3864   -1.2660   -0.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483   -1.0678   -0.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3136    0.1459   -0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4724    1.1675    0.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0915    0.9738    0.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2116    0.3693   -0.2570 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5020    1.4357    0.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8734    0.2229    0.3910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2614   -1.4938   -0.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0563   -2.2364   -0.6111 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3794   -1.8982   -0.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8552    2.1425    0.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5389    1.8011    0.5420 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