SDF/Mol File of 4-Nitrophenylhydrazine (C6H7N3O2)
Identification of 4-Nitrophenylhydrazine Chemical Compound
| Chemical Formula | C6H7N3O2 |
|---|---|
| Molecular Weight | 153.13868 g/mol |
| IUPAC Name | (4-nitrophenyl)hydrazine |
| SMILES String | NNc1ccc(cc1)[N+]([O-])=O |
| InChI | InChI=1S/C6H7N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,7H2 |
| InChIKey | KMVPXBDOWDXXEN-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 4-Nitrophenylhydrazine is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of 4-Nitrophenylhydrazine molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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Search Another SDF·MOL File
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- CAS #: 64-17-5
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying 4-Nitrophenylhydrazine Molecule
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Chemical structure of 4-Nitrophenylhydrazine
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 4-Nitrophenylhydrazine is available in chemical structure page of 4-Nitrophenylhydrazine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of 4-Nitrophenylhydrazine
The molecular weight of 4-Nitrophenylhydrazine is available in molecular weight page of 4-Nitrophenylhydrazine, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of 4-Nitrophenylhydrazine
The chemical formula of 4-Nitrophenylhydrazine is given in chemical formula page of 4-Nitrophenylhydrazine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of 4-Nitrophenylhydrazine
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 4-Nitrophenylhydrazine is:
InChI=1S/C6H7N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,7H2
It can provide a standard way to encode the molecular information of 4-Nitrophenylhydrazine 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 4-Nitrophenylhydrazine is:
InChIKey=KMVPXBDOWDXXEN-UHFFFAOYSA-N
The InChIKey may allow easier web searches for 4-Nitrophenylhydrazine, but it needs to be linked to the full InChI to get back to the original structure of the 4-Nitrophenylhydrazine since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 4-Nitrophenylhydrazine
The 4-Nitrophenylhydrazine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 4-Nitrophenylhydrazine including the registry numbers are listed below, if available:
- C-03188
- EN300-19018
- BBV-43857948
- F0001-0009
- I01-2655
- 4-Nitrophenylhydrazine, stabilized with >30% water
- N-4470
- K-0152
- N0230
- 2I8586432K
- MFCD00007579
- ANW-14171
- p-Nitrophenyl Hydrazine, free base
- Jsp000064
- 636-99-7 (hydrochloride)
- 1-(4-Nitrophenyl)hydrazine #
- 4-Nitrophenylhydrazine, 96%
- Hydrazine,(p-nitrophenyl)-
- 4-nitrophenyl-hydrazine
- p-nitrophenyl hydrazine
- p-Nitrophenylhydrazide
- PND
- (p-Nitrophenyl)hydrazine
- 1-(4-Nitrophenyl)hydrazine
- HYDRAZINE, (p-NITROPHENYL)-
- Hydrazine, (4-nitrophenyl)-
- p-Hydrazinonitrobenzene
- p-Nitrophenylhydrazine
- 100-16-3
- 4-Nitrophenylhydrazine
4-Nitrophenylhydrazine Identification Summary Frequently Asked Questions (FAQs)
| What’s the 4-Nitrophenylhydrazine formula? |
|---|
| C6H7N3O2 |
| How many atoms and what elements are included in the 4-Nitrophenylhydrazine molecule? |
| 18 atom(s) - 7 Hydrogen atom(s), 6 Carbon atom(s), 3 Nitrogen atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the 4-Nitrophenylhydrazine structure? |
| 18 bond(s) - 11 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 N hydrazine(s), and 1 nitro group(s) (aromatic) |
| What’s the 4-Nitrophenylhydrazine’s molar mass? |
| 153.13868 g/mol |
| What’s the SMILES structure of 4-Nitrophenylhydrazine? |
| NNc1ccc(cc1)[N+]([O-])=O |
| What’s the InChI code of 4-Nitrophenylhydrazine? |
| InChI=1S/C6H7N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,7H2 |
| What’s the InChIKey format of 4-Nitrophenylhydrazine? |
| KMVPXBDOWDXXEN-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).