Home Structure 1-Bromo-3-nitrobenzene

Structure of 1-Bromo-3-nitrobenzene (C6H4BrNO2)

Identification of 1-Bromo-3-nitrobenzene Chemical Compound

2D chemical structure image of 1-Bromo-3-nitrobenzene
Chemical Formula C6H4BrNO2
Molecular Weight 202.00546 g/mol
IUPAC Name 1-bromo-3-nitrobenzene
SMILES String [O-][N+](=O)c1cccc(Br)c1
InChI InChI=1S/C6H4BrNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
InChIKey FWIROFMBWVMWLB-UHFFFAOYSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 1-Bromo-3-nitrobenzene molecule contains a total of 14 bond(s) There are 10 non-H bond(s), 8 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s) and 1 nitro group(s) (aromatic).
Images of the chemical structure of 1-Bromo-3-nitrobenzene are given below:

2D chemical structure image of 1-Bromo-3-nitrobenzene
2-dimensional (2D) chemical structure image of 1-Bromo-3-nitrobenzene
3D chemical structure image of 1-Bromo-3-nitrobenzene
3-dimensional (3D) chemical structure image of 1-Bromo-3-nitrobenzene

The 2D chemical structure image of 1-Bromo-3-nitrobenzene is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1-Bromo-3-nitrobenzene 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 1-Bromo-3-nitrobenzene 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 1-Bromo-3-nitrobenzene.


An Interactive 3-dimensional (3D) Visualization of 1-Bromo-3-nitrobenzene

For a better understanding of the chemical structure, an interactive 3D visualization of 1-Bromo-3-nitrobenzene is provided here.

The 1-Bromo-3-nitrobenzene molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the 1-Bromo-3-nitrobenzene molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of 1-Bromo-3-nitrobenzene can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to a image file.





More Properties of 1-Bromo-3-nitrobenzene

For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics:







Additional Information for Identifying 1-Bromo-3-nitrobenzene Molecule

  • Other names (synonyms) or registry numbers of 1-Bromo-3-nitrobenzene

    The 1-Bromo-3-nitrobenzene compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1-Bromo-3-nitrobenzene including the various registry numbers, if available:

    • C-09684
    • EN300-21080
    • BBV-60752331
    • m-Nitrobromobenzene;1-bromo-3-nitro-benzen;1-Nitro-3-brombenzen;1-Nitro-3-bromobenzene;3-Bromo-1-nitrobenzene
    • m-Nitrobromobenzene, liquid or solid [UN2732] [Keep away from food]
    • m-Nitrobromobenzene, liquid or solid [UN2732] [Keep away from food]
    • W-105381
    • I01-0562
    • AB01333606-02
    • B-8220
    • A24686
    • B0623
    • 1-Bromo-3-nitrobenzene (unstable at 56 C)
    • RTC-062816
    • 1-Bromo-3-nitrobenzene, 97% 5g
    • MFCD00024298
    • ANW-32986
    • m-Nitrobromobenzene, liquid or solid
    • OTAVA-BB 1362062
    • 1-Bromo-3-nitrobenzene, 97%
    • PARAGOS 530459
    • 1-bromo-3-nitro benzene
    • 4-Bromo-2-nitrobenzene
    • 1-Nitro-3-bromobenzene
    • 1-Bromo 3-nitrobenzene
    • 3-nitro-1-bromobenzene
    • 3-bromo-nitrobenzene
    • 1-Bromo-3-nitrobenzene (unstable at 56 C) [Forbidden]
    • 61878-56-6
    • BROMONITROBENZENE-3
    • 3-bromo-1-nitrobenzene
    • 1-bromo-3-nitro-benzene
    • m-Nitrobromobenzene
    • 3-Nitrobromobenzene
    • Benzene, 1-bromo-3-nitro-
    • M-BROMONITROBENZENE
    • 585-79-5
    • 3-Bromonitrobenzene

Additional Outstanding Products

1-Bromo-3-nitrobenzene Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1-Bromo-3-nitrobenzene?
C6H4BrNO2
How many atoms and what are the elements included the 1-Bromo-3-nitrobenzene molecule?
14 atom(s) - 4 Hydrogen atom(s), 6 Carbon atom(s), 1 Nitrogen atom(s), 2 Oxygen atom(s) and 1 Bromine atom(s)
How many chemical bonds and what kind of bonds are included the 1-Bromo-3-nitrobenzene structure?
14 bond(s) - 10 non-H bond(s), 8 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s) and 1 nitro group(s) (aromatic)
What’s the 1-Bromo-3-nitrobenzene’s molecular weight?
202.00546 g/mol
What’s the SMILES code of 1-Bromo-3-nitrobenzene?
[O-][N+](=O)c1cccc(Br)c1
What’s the InChI string of 1-Bromo-3-nitrobenzene?
InChI=1S/C6H4BrNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
What’s the InChIKey code of 1-Bromo-3-nitrobenzene?
FWIROFMBWVMWLB-UHFFFAOYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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