SDF/Mol File of Stauffer R-10669 (C11H12N2O7)
Identification of Stauffer R-10669 Chemical Compound
| Chemical Formula | C11H12N2O7 |
|---|---|
| Molecular Weight | 284.22218 g/mol |
| IUPAC Name | butyl (2,4-dinitrophenyl) carbonate |
| SMILES String | CCCCOC(=O)Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| InChI | InChI=1S/C11H12N2O7/c1-2-3-6-19-11(14)20-10-5-4-8(12(15)16)7-9(10)13(17)18/h4-5,7H,2-3,6H2,1H3 |
| InChIKey | UKVCWXQPMRARHZ-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of Stauffer R-10669 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 Stauffer R-10669 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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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Stauffer R-10669 Molecule
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Chemical structure of Stauffer R-10669
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Stauffer R-10669 is available in chemical structure page of Stauffer R-10669, 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 Stauffer R-10669
The molecular weight of Stauffer R-10669 is available in molecular weight page of Stauffer R-10669, 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 Stauffer R-10669
The chemical formula of Stauffer R-10669 is given in chemical formula page of Stauffer R-10669, 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 Stauffer R-10669
An alternative way of expressing structural information in text format is InChI. The full standard InChI of Stauffer R-10669 is:
InChI=1S/C11H12N2O7/c1-2-3-6-19-11(14)20-10-5-4-8(12(15)16)7-9(10)13(17)18/h4-5,7H,2-3,6H2,1H3
It can provide a standard way to encode the molecular information of Stauffer R-10669 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 Stauffer R-10669 is:
InChIKey=UKVCWXQPMRARHZ-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Stauffer R-10669, but it needs to be linked to the full InChI to get back to the original structure of the Stauffer R-10669 since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Stauffer R-10669
The Stauffer R-10669 compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Stauffer R-10669 including the registry numbers are listed below, if available:
- Butyl-2,4-dinitrofenylester kyseliny uhlicite
- 15741-91-0
- Butyl-2,4-dinitrofenylester kyseliny uhlicite [Czech]
- CARBONIC ACID, BUTYL 2,4-DINITROPHENYL ESTER
- ENT 27,364
- R-10669
- Butyl 2,4-dinitrophenyl carbonate
- Stauffer R-10669
Stauffer R-10669 Identification Summary Frequently Asked Questions (FAQs)
| What’s the Stauffer R-10669 formula? |
|---|
| C11H12N2O7 |
| How many atoms and what elements are included in the Stauffer R-10669 molecule? |
| 32 atom(s) - 12 Hydrogen atom(s), 11 Carbon atom(s), 2 Nitrogen atom(s), and 7 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the Stauffer R-10669 structure? |
| 32 bond(s) - 20 non-H bond(s), 11 multiple bond(s), 8 rotatable bond(s), 5 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 carbonate (-thio) derivative(s), and 2 nitro group(s) (aromatic) |
| What’s the Stauffer R-10669’s molar mass? |
| 284.22218 g/mol |
| What’s the SMILES structure of Stauffer R-10669? |
| CCCCOC(=O)Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| What’s the InChI code of Stauffer R-10669? |
| InChI=1S/C11H12N2O7/c1-2-3-6-19-11(14)20-10-5-4-8(12(15)16)7-9(10)13(17)18/h4-5,7H,2-3,6H2,1H3 |
| What’s the InChIKey format of Stauffer R-10669? |
| UKVCWXQPMRARHZ-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).