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
   -2.7656    0.4636    0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9219   -0.4926   -0.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4946   -0.2362   -0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3947   -1.3017   -0.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -1.1149   -0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2915    0.1429    0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4325    1.1976    0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0786    0.9769    0.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1746    0.3439    0.1809 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4566    1.4553    0.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8244    0.2654   -0.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2715   -1.4963   -0.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0508   -2.2673   -0.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220   -1.9282   -0.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8383    2.1622    0.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5777    1.8293    0.3547 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