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
    2.7969    0.2894    0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8789   -0.6385    0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4756   -0.3100    0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0191    0.9886    0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    1.2914   -0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2885    0.3014   -0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8385   -0.9977   -0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5022   -1.3005   -0.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1559    0.7239   -0.2095 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6291    1.3497    0.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8470   -0.0639    0.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1518   -1.6823    0.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    1.8336    0.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6455    2.3264   -0.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6018   -1.7903   -0.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1406   -2.3212   -0.0791 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