Structure & Deep Data of Diethyl(4-nitrophenyl)phosphonate (C10H14NO5P)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The diethyl(4-nitrophenyl)phosphonate molecule contains a total of 31 bond(s). There are 17 non-H bond(s), 9 multiple bond(s), 6 rotatable bond(s), 3 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 nitro group(s) (aromatic), and 1 phosphonate(s) (thio-). Images of the chemical structure of diethyl(4-nitrophenyl)phosphonate are given below:

The 2D chemical structure image of diethyl(4-nitrophenyl)phosphonate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of diethyl(4-nitrophenyl)phosphonate 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 diethyl(4-nitrophenyl)phosphonate 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 diethyl(4-nitrophenyl)phosphonate. Download structure data file (SDF/MOL) file of this compound.

---

Search Another Chemical Structure

Enter another compound to search for chemical structure:

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

Additional Information for Identifying Diethyl(4-nitrophenyl)phosphonate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of diethyl(4-nitrophenyl)phosphonate

  The SMILES string of diethyl(4-nitrophenyl)phosphonate is CCOP(=O)(OCC)c1ccc(cc1)[N+]([O-])=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the diethyl(4-nitrophenyl)phosphonate.

• Structure Data File (SDF/MOL File) of diethyl(4-nitrophenyl)phosphonate

  The structure data file (SDF/MOL File) of diethyl(4-nitrophenyl)phosphonate is available for download in the SDF page of diethyl(4-nitrophenyl)phosphonate, which provides the information about the atoms, bonds, connectivity and coordinates of diethyl(4-nitrophenyl)phosphonate. The diethyl(4-nitrophenyl)phosphonate structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of diethyl(4-nitrophenyl)phosphonate

  The molecular formula of diethyl(4-nitrophenyl)phosphonate is available in chemical formula page of diethyl(4-nitrophenyl)phosphonate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of diethyl(4-nitrophenyl)phosphonate

  The molecular weight of diethyl(4-nitrophenyl)phosphonate is available in molecular weight page of diethyl(4-nitrophenyl)phosphonate, 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 diethyl(4-nitrophenyl)phosphonate

  The diethyl(4-nitrophenyl)phosphonate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of diethyl(4-nitrophenyl)phosphonate including the various registry numbers, if available:

  • Phosphonic acid,P-(4-nitrophenyl)-, diethyl ester
  • Phosphonic acid, P-(4-nitrophenyl)-, diethyl ester
  • AR-1I4937
  • 4-Nitrophenyldiethoxyphosphine oxide
  • 1-diethoxyphosphoryl-4-nitrobenzene
  • diethyl 4-nitrophenylphosphonate
  • (4-Nitro-phenyl)-phosphonic acid diethyl ester
  • 1754-42-3
  • diethyl(4-nitrophenyl)phosphonate

---

Diethyl(4-nitrophenyl)phosphonate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of diethyl(4-nitrophenyl)phosphonate?
C10H14NO5P
How many atoms and what are the elements included the diethyl(4-nitrophenyl)phosphonate molecule?
31 atom(s) - 14 Hydrogen atom(s), 10 Carbon atom(s), 1 Nitrogen atom(s), 5 Oxygen atom(s), and 1 Phosphorous atom(s)
How many chemical bonds and what kind of bonds are included the diethyl(4-nitrophenyl)phosphonate structure?
31 bond(s) - 17 non-H bond(s), 9 multiple bond(s), 6 rotatable bond(s), 3 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 nitro group(s) (aromatic), and 1 phosphonate(s) (thio-)
What’s the diethyl(4-nitrophenyl)phosphonate’s molecular weight?
259.195622 g/mol
What’s the SMILES code of diethyl(4-nitrophenyl)phosphonate?
CCOP(=O)(OCC)c1ccc(cc1)[N+]([O-])=O
What’s the InChI string of diethyl(4-nitrophenyl)phosphonate?
InChI=1S/C10H14NO5P/c1-3-15-17(14,16-4-2)10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
What’s the InChIKey code of diethyl(4-nitrophenyl)phosphonate?
AWAKGNAIMIGBNG-UHFFFAOYSA-N

22 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).