Formula of 4-Biphenylyl benzoate (C19H14O2)
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Chemical Formula | C19H14O2 |
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Molecular Weight | 274.31326 g/mol |
IUPAC Name | 4-phenylphenyl benzoate |
SMILES String | O=C(Oc1ccc(cc1)c2ccccc2)c3ccccc3 |
InChI | InChI=1S/C19H14O2/c20-19(17-9-5-2-6-10-17)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H |
InChIKey | CINHWMYRCOGYIX-UHFFFAOYSA-N |
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Chemical Formula Description
The 4-Biphenylyl benzoate molecule contains a total of 35 atom(s). There are 14 Hydrogen atom(s), 19 Carbon atom(s), and 2 Oxygen atom(s). A chemical formula of 4-Biphenylyl benzoate can therefore be written as:
C19H14O2
The chemical formula of 4-Biphenylyl benzoate shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying 4-Biphenylyl benzoate Molecule
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Structure Data File (SDF/MOL File) of 4-Biphenylyl benzoate
The structure data file (SDF/MOL File) of 4-Biphenylyl benzoate is available for download in the SDF page of 4-Biphenylyl benzoate providing the information about the atoms, bonds, connectivity and coordinates of 4-Biphenylyl benzoate, which is not completely available in the chemical formula representation. The 4-Biphenylyl benzoate structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of 4-Biphenylyl benzoate
The chemical structure image of 4-Biphenylyl benzoate is available in chemical structure page of 4-Biphenylyl benzoate, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of 4-Biphenylyl benzoate and the chemical bonds that hold the atoms together.
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Molecular weight of 4-Biphenylyl benzoate
The molecular weight of 4-Biphenylyl benzoate is available in molecular weight page of 4-Biphenylyl benzoate, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of 4-Biphenylyl benzoate.
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InChI (IUPAC International Chemical Identifier) information of 4-Biphenylyl benzoate
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 4-Biphenylyl benzoate is:
InChI=1S/C19H14O2/c20-19(17-9-5-2-6-10-17)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
It can provide a standard way to encode the molecular information of 4-Biphenylyl benzoate 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-Biphenylyl benzoate is:
InChIKey=CINHWMYRCOGYIX-UHFFFAOYSA-N
The InChIKey may allow easier web searches for 4-Biphenylyl benzoate, but it needs to be linked to the full InChI to get back to the original structure of the 4-Biphenylyl benzoate since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 4-Biphenylyl benzoate
The 4-Biphenylyl benzoate compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 4-Biphenylyl benzoate including the registry numbers is given below, if available:
- 3B1-003101
- A815619
- B1866
- MFCD00223541
- AR-1H9900
- benzoic acid (4-phenylphenyl) ester
- BENZOICACID4-BIPHENYLESTER
- Benzoic Acid 4-Biphenyl Ester
- Benzoic acid, 4-biphenyl ester
- 4-Benzoyloxybiphenyl
- 4-biphenylylbenzoate
- (4-phenylphenyl) benzoate
- 2170-13-0
- 4-Biphenylyl benzoate
- biphenyl-4-yl benzoate
- Benzoic Acid 4-Biphenyl Ester
4-Biphenylyl benzoate Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of 4-Biphenylyl benzoate? |
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C19H14O2 |
How many atoms and what are they in the 4-Biphenylyl benzoate structure? |
35 atom(s) - 14 Hydrogen atom(s), 19 Carbon atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what are they in the 4-Biphenylyl benzoate structure? |
37 bond(s) - 23 non-H bond(s), 19 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 18 aromatic bond(s), 3 six-membered ring(s), and 1 ester(s) (aromatic) |
What’s the molecular weight of 4-Biphenylyl benzoate? |
274.31326 g/mol |
What’s the SMILES string of 4-Biphenylyl benzoate? |
O=C(Oc1ccc(cc1)c2ccccc2)c3ccccc3 |
What’s the InChI of 4-Biphenylyl benzoate? |
InChI=1S/C19H14O2/c20-19(17-9-5-2-6-10-17)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H |
What’s the InChIKey of 4-Biphenylyl benzoate? |
CINHWMYRCOGYIX-UHFFFAOYSA-N |