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
   -2.7223    0.6212    0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416   -0.4004    0.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5071   -0.2224    0.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115   -1.3399   -0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6721   -1.2239   -0.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3029    0.0011   -0.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5099    1.1034   -0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1317    0.9889    0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1834    0.1551   -0.5766 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3864    1.6431    0.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8113    0.5121    0.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3999   -1.3888    0.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1892   -2.3023   -0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012   -2.0986   -0.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9877    2.0675   -0.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4425    1.8838    0.2507 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