SDF/Mol File of N-(3-nitrophenyl)-N'-phenylurea (C13H11N3O3)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying N-(3-nitrophenyl)-N'-phenylurea Molecule

• Chemical structure of N-(3-nitrophenyl)-N'-phenylurea

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N-(3-nitrophenyl)-N'-phenylurea is available in chemical structure page of N-(3-nitrophenyl)-N'-phenylurea, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of N-(3-nitrophenyl)-N'-phenylurea

  The molecular weight of N-(3-nitrophenyl)-N'-phenylurea is available in molecular weight page of N-(3-nitrophenyl)-N'-phenylurea, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of N-(3-nitrophenyl)-N'-phenylurea

  The chemical formula of N-(3-nitrophenyl)-N'-phenylurea is given in chemical formula page of N-(3-nitrophenyl)-N'-phenylurea, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of N-(3-nitrophenyl)-N'-phenylurea

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of N-(3-nitrophenyl)-N'-phenylurea is:

  InChI=1S/C13H11N3O3/c17-13(14-10-5-2-1-3-6-10)15-11-7-4-8-12(9-11)16(18)19/h1-9H,(H2,14,15,17)

  It can provide a standard way to encode the molecular information of N-(3-nitrophenyl)-N'-phenylurea to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of N-(3-nitrophenyl)-N'-phenylurea is:

  InChIKey=MKGHYUVMRJIWPW-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for N-(3-nitrophenyl)-N'-phenylurea, but it needs to be linked to the full InChI to get back to the original structure of the N-(3-nitrophenyl)-N'-phenylurea since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of N-(3-nitrophenyl)-N'-phenylurea

  The N-(3-nitrophenyl)-N'-phenylurea compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-(3-nitrophenyl)-N'-phenylurea including the registry numbers are listed below, if available:

  • T5771268
  • AB00077516-01
  • EN300-26811
  • UPCMLD0ENAT5771268:001
  • Urea,N-(3-nitrophenyl)-N'-phenyl-
  • Cambridge id 5262194
  • Ambcb5262194
  • 3-(3-nitrophenyl)-1-phenylurea
  • 2000-54-6
  • N-(3-nitrophenyl)-N'-phenylurea

  • Z44586821

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N-(3-nitrophenyl)-N'-phenylurea Identification Summary Frequently Asked Questions (FAQs)

What’s the N-(3-nitrophenyl)-N'-phenylurea formula?
C13H11N3O3
How many atoms and what elements are included in the N-(3-nitrophenyl)-N'-phenylurea molecule?
30 atom(s) - 11 Hydrogen atom(s), 13 Carbon atom(s), 3 Nitrogen atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the N-(3-nitrophenyl)-N'-phenylurea structure?
31 bond(s) - 20 non-H bond(s), 15 multiple bond(s), 3 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 urea (-thio) derivative(s), and 1 nitro group(s) (aromatic)
What’s the N-(3-nitrophenyl)-N'-phenylurea’s molar mass?
257.24474 g/mol
What’s the SMILES structure of N-(3-nitrophenyl)-N'-phenylurea?
[O-][N+](=O)c2cccc(NC(=O)Nc1ccccc1)c2
What’s the InChI code of N-(3-nitrophenyl)-N'-phenylurea?
InChI=1S/C13H11N3O3/c17-13(14-10-5-2-1-3-6-10)15-11-7-4-8-12(9-11)16(18)19/h1-9H,(H2,14,15,17)
What’s the InChIKey format of N-(3-nitrophenyl)-N'-phenylurea?
MKGHYUVMRJIWPW-UHFFFAOYSA-N

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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).