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
    2.7909   -0.5095    0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9007    0.3852   -0.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4872    0.1665   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0832   -0.9767    0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4575   -1.1305    0.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3245   -0.1289    0.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7773    1.0248   -0.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4268    1.1747   -0.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9890    2.4122   -0.8261 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8711   -0.3186   -0.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4685   -1.4483    0.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2349    1.3385   -0.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5747   -1.7988    0.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8435   -2.0500    0.9596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4128   -0.2473    0.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0134    2.1067   -0.8740 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