Structure & Deep Data of BROMOBENZENE (C6H5Br)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The BROMOBENZENE molecule contains a total of 12 bond(s). There are 7 non-H bond(s), 6 multiple bond(s), 6 aromatic bond(s), and 1 six-membered ring(s). Images of the chemical structure of BROMOBENZENE are given below:

The 2D chemical structure image of BROMOBENZENE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of BROMOBENZENE are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of BROMOBENZENE is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of BROMOBENZENE. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying BROMOBENZENE Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of BROMOBENZENE

  The SMILES string of BROMOBENZENE is Brc1ccccc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the BROMOBENZENE.

• Structure Data File (SDF/MOL File) of BROMOBENZENE

  The structure data file (SDF/MOL File) of BROMOBENZENE is available for download in the SDF page of BROMOBENZENE, which provides the information about the atoms, bonds, connectivity and coordinates of BROMOBENZENE. The BROMOBENZENE structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of BROMOBENZENE

  The molecular formula of BROMOBENZENE is available in chemical formula page of BROMOBENZENE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of BROMOBENZENE

  The molecular weight of BROMOBENZENE is available in molecular weight page of BROMOBENZENE, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of BROMOBENZENE

  The BROMOBENZENE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of BROMOBENZENE including the various registry numbers, if available:

  • BBV-46883694
  • J-002199
  • I01-4404
  • A801934
  • S0657
  • B0439
  • Bromobenzene [UN2514] [Flammable liquid]
  • I835
  • CAS-108-86-1
  • Phenyl BromideBromobenzolMonobromobenzene

  • UN 2514
  • RTR-001999
  • Bromobenzene, for synthesis, 99.5%
  • Bromobenzene, ReagentPlus(R), 99%
  • LTBB002678
  • HMS2269P12
  • Bromobenzene, >=99.5% (GC)
  • Bromobenzene, analytical standard
  • CO4D5J547L
  • Bromobenzene, LR, >=99%

  • Bromobenzene, 99% 500g
  • PHENYL, 3-BROMO-
  • PHENYL, 2-BROMO-
  • Bromobenzene [UN2514] [Flammable liquid]
  • BROMOBENZENE- D5
  • PHENYL, BROMO-
  • BROMOBENZOL
  • 1-bromo-benzene
  • 2-Bromobenzene
  • 3-bromobenzene

  • p-bromobenzene
  • Phenylbromide
  • bromanylbenzene
  • MFCD00000055
  • 4-bromo-benzene
  • PhBr
  • 1-Bromobenzene
  • 4-bromobenzene
  • C6H5Br
  • bromo benzene

  • BROMO-BENZENE
  • Monobromobenzene
  • Benzene, bromo-
  • Phenyl bromide
  • 108-86-1
  • F1908-0102
  • J-519941

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BROMOBENZENE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of BROMOBENZENE?
C6H5Br
How many atoms and what are the elements included the BROMOBENZENE molecule?
12 atom(s) - 5 Hydrogen atom(s), 6 Carbon atom(s), and 1 Bromine atom(s)
How many chemical bonds and what kind of bonds are included the BROMOBENZENE structure?
12 bond(s) - 7 non-H bond(s), 6 multiple bond(s), 6 aromatic bond(s), and 1 six-membered ring(s)
What’s the BROMOBENZENE’s molecular weight?
157.0079 g/mol
What’s the SMILES code of BROMOBENZENE?
Brc1ccccc1
What’s the InChI string of BROMOBENZENE?
InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H
What’s the InChIKey code of BROMOBENZENE?
QARVLSVVCXYDNA-UHFFFAOYSA-N

11119 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).