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Formula of 3-CHLOROPHENYL CYCLOPENTYL KETONE (C12H13ClO)

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2D chemical structure image of 3-CHLOROPHENYL CYCLOPENTYL KETONE
Chemical Formula C12H13ClO
Molecular Weight 208.68372 g/mol
IUPAC Name (3-chlorophenyl)(cyclopentyl)methanone
SMILES String Clc1cccc(c1)C(=O)C2CCCC2
InChI InChI=1S/C12H13ClO/c13-11-7-3-6-10(8-11)12(14)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2
InChIKey XOIRTJDXSCKPCE-UHFFFAOYSA-N
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Chemical Formula Description

The 3-CHLOROPHENYL CYCLOPENTYL KETONE molecule contains a total of 27 atom(s). There are 13 Hydrogen atom(s), 12 Carbon atom(s), 1 Oxygen atom(s), and 1 Chlorine atom(s). A chemical formula of 3-CHLOROPHENYL CYCLOPENTYL KETONE can therefore be written as:

C12H13ClO

The chemical formula of 3-CHLOROPHENYL CYCLOPENTYL KETONE 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.

3D chemical structure image of 3-CHLOROPHENYL CYCLOPENTYL KETONE
Ball-and-stick model of 3-CHLOROPHENYL CYCLOPENTYL KETONE

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  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Additional Information for Identifying 3-CHLOROPHENYL CYCLOPENTYL KETONE Molecule

  • InChI (IUPAC International Chemical Identifier) information of 3-CHLOROPHENYL CYCLOPENTYL KETONE

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 3-CHLOROPHENYL CYCLOPENTYL KETONE is:

    InChI=1S/C12H13ClO/c13-11-7-3-6-10(8-11)12(14)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2

    It can provide a standard way to encode the molecular information of 3-CHLOROPHENYL CYCLOPENTYL KETONE 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 3-CHLOROPHENYL CYCLOPENTYL KETONE is:

    InChIKey=XOIRTJDXSCKPCE-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for 3-CHLOROPHENYL CYCLOPENTYL KETONE, but it needs to be linked to the full InChI to get back to the original structure of the 3-CHLOROPHENYL CYCLOPENTYL KETONE since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 3-CHLOROPHENYL CYCLOPENTYL KETONE

    The 3-CHLOROPHENYL CYCLOPENTYL KETONE compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 3-CHLOROPHENYL CYCLOPENTYL KETONE including the registry numbers is given below, if available:

    • MFCD03841307
    • Cyclopentyl(3-chlorophenyl)methanone
    • (3-Chlorophenyl)cyclopentylmethanone
    • m-chlorophenyl cyclopentyl ketone
    • 1855-40-9
    • 3-CHLOROPHENYL CYCLOPENTYL KETONE

3-CHLOROPHENYL CYCLOPENTYL KETONE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 3-CHLOROPHENYL CYCLOPENTYL KETONE?
C12H13ClO
How many atoms and what are they in the 3-CHLOROPHENYL CYCLOPENTYL KETONE structure?
27 atom(s) - 13 Hydrogen atom(s), 12 Carbon atom(s), 1 Oxygen atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what are they in the 3-CHLOROPHENYL CYCLOPENTYL KETONE structure?
28 bond(s) - 15 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), and 1 ketone(s) (aromatic)
What’s the molecular weight of 3-CHLOROPHENYL CYCLOPENTYL KETONE?
208.68372 g/mol
What’s the SMILES string of 3-CHLOROPHENYL CYCLOPENTYL KETONE?
Clc1cccc(c1)C(=O)C2CCCC2
What’s the InChI of 3-CHLOROPHENYL CYCLOPENTYL KETONE?
InChI=1S/C12H13ClO/c13-11-7-3-6-10(8-11)12(14)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2
What’s the InChIKey of 3-CHLOROPHENYL CYCLOPENTYL KETONE?
XOIRTJDXSCKPCE-UHFFFAOYSA-N