SDF/Mol File of 1,3-DIETHYLBENZENE (C10H14)
Identification of 1,3-DIETHYLBENZENE Chemical Compound
|Molecular Weight||134.21816 g/mol|
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 1,3-DIETHYLBENZENE is available for download. Click the link below to start downloading.
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of 1,3-DIETHYLBENZENE 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.
Additional Information for Identifying 1,3-DIETHYLBENZENE Molecule
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 1,3-DIETHYLBENZENE is available in chemical structure page of 1,3-DIETHYLBENZENE, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
The molecular weight of 1,3-DIETHYLBENZENE is available in molecular weight page of 1,3-DIETHYLBENZENE, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
The chemical formula of 1,3-DIETHYLBENZENE is given in chemical formula page of 1,3-DIETHYLBENZENE, 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 1,3-DIETHYLBENZENE
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 1,3-DIETHYLBENZENE is:
It can provide a standard way to encode the molecular information of 1,3-DIETHYLBENZENE 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 1,3-DIETHYLBENZENE is:
The InChIKey may allow easier web searches for 1,3-DIETHYLBENZENE, but it needs to be linked to the full InChI to get back to the original structure of the 1,3-DIETHYLBENZENE since the full standard InChI cannot be reconstructed from the InChIKey.
Other names (synonyms) or registry numbers of 1,3-DIETHYLBENZENE
The 1,3-DIETHYLBENZENE compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 1,3-DIETHYLBENZENE including the registry numbers are listed below, if available:
- Benzene, 1,3-diethyl-
- Benzene, m-diethyl-
- Ethylated benzene
- Benzene, ethylated
- Polyethylated benzene
- Benzene, polyethylated
- 1,3-Diethylbenzene, 97% 2ml
- 1,3-Diethylbenzene, puriss., >=99.0% (GC)
1,3-DIETHYLBENZENE Identification Summary Frequently Asked Questions (FAQs)
|What’s the 1,3-DIETHYLBENZENE formula?|
|How many atoms and what elements are included in the 1,3-DIETHYLBENZENE molecule?|
|24 atom(s) – 14 Hydrogen atom(s) and 10 Carbon atom(s)|
|How many chemical bonds and what kind of bonds are in the 1,3-DIETHYLBENZENE structure?|
|24 bond(s) – 10 non-H bond(s), 6 multiple bond(s), 2 rotatable bond(s), 6 aromatic bond(s) and 1 six-membered ring(s)|
|What’s the 1,3-DIETHYLBENZENE’s molar mass?|
|What’s the SMILES structure of 1,3-DIETHYLBENZENE?|
|What’s the InChI code of 1,3-DIETHYLBENZENE?|
|What’s the InChIKey format of 1,3-DIETHYLBENZENE?|