Structure & Deep Data of 1-bromobicyclo[1.1.1]pentane (C5H7Br)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 1-bromobicyclo[1.1.1]pentane molecule contains a total of 14 bond(s). There are 7 non-H bond(s) and 3 four-membered ring(s). Images of the chemical structure of 1-bromobicyclo[1.1.1]pentane are given below:

The 2D chemical structure image of 1-bromobicyclo[1.1.1]pentane is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1-bromobicyclo[1.1.1]pentane are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of 1-bromobicyclo[1.1.1]pentane is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 1-bromobicyclo[1.1.1]pentane. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 1-bromobicyclo[1.1.1]pentane Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 1-bromobicyclo[1.1.1]pentane

  The SMILES string of 1-bromobicyclo[1.1.1]pentane is BrC12CC(C1)C2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 1-bromobicyclo[1.1.1]pentane.

• Structure Data File (SDF/MOL File) of 1-bromobicyclo[1.1.1]pentane

  The structure data file (SDF/MOL File) of 1-bromobicyclo[1.1.1]pentane is available for download in the SDF page of 1-bromobicyclo[1.1.1]pentane, which provides the information about the atoms, bonds, connectivity and coordinates of 1-bromobicyclo[1.1.1]pentane. The 1-bromobicyclo[1.1.1]pentane structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 1-bromobicyclo[1.1.1]pentane

  The molecular formula of 1-bromobicyclo[1.1.1]pentane is available in chemical formula page of 1-bromobicyclo[1.1.1]pentane, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 1-bromobicyclo[1.1.1]pentane

  The molecular weight of 1-bromobicyclo[1.1.1]pentane is available in molecular weight page of 1-bromobicyclo[1.1.1]pentane, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of 1-bromobicyclo[1.1.1]pentane

  The 1-bromobicyclo[1.1.1]pentane compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1-bromobicyclo[1.1.1]pentane including the various registry numbers, if available:

  
  
  None available.

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1-bromobicyclo[1.1.1]pentane Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1-bromobicyclo[1.1.1]pentane?
C5H7Br
How many atoms and what are the elements included the 1-bromobicyclo[1.1.1]pentane molecule?
13 atom(s) - 7 Hydrogen atom(s), 5 Carbon atom(s), and 1 Bromine atom(s)
How many chemical bonds and what kind of bonds are included the 1-bromobicyclo[1.1.1]pentane structure?
14 bond(s) - 7 non-H bond(s) and 3 four-membered ring(s)
What’s the 1-bromobicyclo[1.1.1]pentane’s molecular weight?
147.01308 g/mol
What’s the SMILES code of 1-bromobicyclo[1.1.1]pentane?
BrC12CC(C1)C2
What’s the InChI string of 1-bromobicyclo[1.1.1]pentane?
InChI=1S/C5H7Br/c6-5-1-4(2-5)3-5/h4H,1-3H2/t4-,5-
What’s the InChIKey code of 1-bromobicyclo[1.1.1]pentane?
XFXJTOJDGTYWDX-URHBZAFASA-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).