Molecular Weight of Bromodifluoroacetyl bromide (C2Br2F2O)
Identification of Bromodifluoroacetyl bromide Chemical Compound
| Chemical Formula | C2Br2F2O |
|---|---|
| Molecular Weight | 237.82561 g/mol |
| IUPAC Name | 2-bromo-2,2-difluoroacetyl bromide |
| SMILES String | FC(F)(Br)C(Br)=O |
| InChI | InChI=1S/C2Br2F2O/c3-1(7)2(4,5)6 |
| InChIKey | FRTUTWXODRBCOL-UHFFFAOYSA-N |
Molecular Weight Description
The Bromodifluoroacetyl bromide molecule consists of 2 Carbon atom(s), 1 Oxygen atom(s), 2 Fluorine atom(s), and 2 Bromine atom(s) - a total of 7 atom(s). The molecular weight of Bromodifluoroacetyl bromide is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 237.82561 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Bromodifluoroacetyl bromide Molecule
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Structure Data File (SDF/MOL File) of Bromodifluoroacetyl bromide
The structure data file (SDF/MOL File) of Bromodifluoroacetyl bromide is available for download in the SDF page of Bromodifluoroacetyl bromide, which provides the information on atoms, bonds, connectivity and coordinates of Bromodifluoroacetyl bromide. The Bromodifluoroacetyl bromide structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of Bromodifluoroacetyl bromide
The molecular structure image of Bromodifluoroacetyl bromide is available in chemical structure page of Bromodifluoroacetyl bromide, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Bromodifluoroacetyl bromide and the chemical bonds that hold the atoms together.
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Chemical formula of Bromodifluoroacetyl bromide
The molecular formula of Bromodifluoroacetyl bromide is given in chemical formula page of Bromodifluoroacetyl bromide, 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 Bromodifluoroacetyl bromide
In addition to the molecular weight information, the structural information of Bromodifluoroacetyl bromide in a textual expression is available via InChi. The full standard InChI of Bromodifluoroacetyl bromide is given below:
InChI=1S/C2Br2F2O/c3-1(7)2(4,5)6
It can provide a way to encode the molecular information of Bromodifluoroacetyl bromide 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 Bromodifluoroacetyl bromide is:
InChIKey=FRTUTWXODRBCOL-UHFFFAOYSA-N
It may allow easier web searches for Bromodifluoroacetyl bromide. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Bromodifluoroacetyl bromide as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Bromodifluoroacetyl bromide
There may be different names of the Bromodifluoroacetyl bromide compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- I14-11613
- J-011466
- 3S101761
- C-14135
- A812468
- 2-bromanyl-2,2-bis(fluoranyl)ethanoyl bromide
- 1,2-Dibromo-1,1-difluoro-2-oxoethane
- 2-bromo-2,2-difluoro-acetyl bromide
- MFCD00153688
- ZX-AP011852
- Bromodifluoroacetylbromide
- Acetyl bromide,2-bromo-2,2-difluoro-
- 1796-12-9
- Bromodifluoroacetyl bromide
Bromodifluoroacetyl bromide Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Bromodifluoroacetyl bromide? |
|---|
| C2Br2F2O |
| How many atoms and what are the elements in the Bromodifluoroacetyl bromide molecule? |
| 7 atom(s) - 2 Carbon atom(s), 1 Oxygen atom(s), 2 Fluorine atom(s), and 2 Bromine atom(s) |
| How many chemical bonds and what types of bonds are in the Bromodifluoroacetyl bromide structure? |
| 6 bond(s) - 6 non-H bond(s), 1 multiple bond(s), 1 double bond(s), and 1 acyl halogenide(s) (aliphatic) |
| What’s the molar mass of Bromodifluoroacetyl bromide? |
| 237.82561 g/mol |
| What’s the SMILES format of Bromodifluoroacetyl bromide? |
| FC(F)(Br)C(Br)=O |
| What’s the InChI format of Bromodifluoroacetyl bromide? |
| InChI=1S/C2Br2F2O/c3-1(7)2(4,5)6 |
| What’s the InChIKey string of Bromodifluoroacetyl bromide? |
| FRTUTWXODRBCOL-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).