Monomers

3-Bromostyrene

Identifiers

IUPAC name
1-bromo-3-ethenylbenzene
InchI
InChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InchI Key
KQJQPCJDKBKSLV-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)Br
Canonical SMILES
C=CC1=CC(=CC=C1)Br
Isomeric SMILES
C=CC1=CC(=CC=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
   -2.8368    0.0307    0.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8050   -0.7469   -0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4040   -0.2672   -0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0813    1.0411    0.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2477    1.4743    0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2445    0.5585   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9395   -0.7632   -0.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6291   -1.1509   -0.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3642   -2.0144   -0.5922 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8341   -0.4255    0.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7607    1.0958    0.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9675   -1.7932   -0.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8646    1.7582    0.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4323    2.5146    0.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2878    0.8874    0.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4090   -2.1992   -0.4762 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
  7  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
  6 15  1  0
  8 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers