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
    2.6182   -0.9056    0.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8653   -0.4080   -0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4754   -0.0845   -0.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1626   -0.2512    1.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4925    0.0711    1.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2077    0.5914    0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6357    0.7866   -1.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3099    0.4502   -1.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6554    1.5044   -2.4609 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6461   -1.1456    0.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448   -1.0851    1.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2889   -0.2386   -1.4618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3767   -0.6550    1.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9668   -0.0740    2.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2596    0.8550    0.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1749    0.5890   -2.1675 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