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Structure & Deep Data of 6-Nitrotetralin (C10H11NO2)

Identification of 6-Nitrotetralin Chemical Compound

2D chemical structure image of 6-Nitrotetralin
Chemical Formula C10H11NO2
Molecular Weight 177.19984 g/mol
IUPAC Name 6-nitro-1,2,3,4-tetrahydronaphthalene
SMILES String [O-][N+](=O)c2ccc1CCCCc1c2
InChI InChI=1S/C10H11NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2
InChIKey OMJAUAQKUSAPIJ-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 6-Nitrotetralin molecule contains a total of 25 bond(s). There are 14 non-H bond(s), 8 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 1 ten-membered ring(s), and 1 nitro group(s) (aromatic). Images of the chemical structure of 6-Nitrotetralin are given below:

2D chemical structure image of 6-Nitrotetralin
2-dimensional (2D) chemical structure image of 6-Nitrotetralin
3D chemical structure image of 6-Nitrotetralin
3-dimensional (3D) chemical structure image of 6-Nitrotetralin

The 2D chemical structure image of 6-Nitrotetralin is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 6-Nitrotetralin 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 6-Nitrotetralin 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 6-Nitrotetralin. Download structure data file (SDF/MOL) file of this compound.


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Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of 6-Nitrotetralin is provided here.

The 6-Nitrotetralin 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 6-Nitrotetralin 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 6-Nitrotetralin 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 an image file.


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Additional Information for Identifying 6-Nitrotetralin Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of 6-Nitrotetralin

    The SMILES string of 6-Nitrotetralin is [O-][N+](=O)c2ccc1CCCCc1c2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 6-Nitrotetralin.

  • Structure Data File (SDF/MOL File) of 6-Nitrotetralin

    The structure data file (SDF/MOL File) of 6-Nitrotetralin is available for download in the SDF page of 6-Nitrotetralin, which provides the information about the atoms, bonds, connectivity and coordinates of 6-Nitrotetralin. The 6-Nitrotetralin structure data file can be imported to most of the cheminformatics software systems and applications.

  • Chemical formula of 6-Nitrotetralin

    The molecular formula of 6-Nitrotetralin is available in chemical formula page of 6-Nitrotetralin, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • Molecular weight of 6-Nitrotetralin

    The molecular weight of 6-Nitrotetralin is available in molecular weight page of 6-Nitrotetralin, 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 6-Nitrotetralin

    The 6-Nitrotetralin compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 6-Nitrotetralin including the various registry numbers, if available:

    • AR-1H2428
    • 2-NITRO-5,6,7,8-TETRAHYDRONAPHTHALENE
    • 6-Nitro-1,2,3,4-tetrahydronaphthalene #
    • Naphthalene,2,3,4-tetrahydro-6-nitro-
    • ZERO/005284
    • Naphthalene, 1,2,3,4-tetrahydro-6-nitro-
    • 1,2,3,4-Tetrahydro-6-nitronaphthalene
    • 19353-86-7
    • 6-Nitrotetralin

6-Nitrotetralin Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 6-Nitrotetralin?
C10H11NO2
How many atoms and what are the elements included the 6-Nitrotetralin molecule?
24 atom(s) - 11 Hydrogen atom(s), 10 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 6-Nitrotetralin structure?
25 bond(s) - 14 non-H bond(s), 8 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 1 ten-membered ring(s), and 1 nitro group(s) (aromatic)
What’s the 6-Nitrotetralin’s molecular weight?
177.19984 g/mol
What’s the SMILES code of 6-Nitrotetralin?
[O-][N+](=O)c2ccc1CCCCc1c2
What’s the InChI string of 6-Nitrotetralin?
InChI=1S/C10H11NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2
What’s the InChIKey code of 6-Nitrotetralin?
OMJAUAQKUSAPIJ-UHFFFAOYSA-N

26 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).

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