Structure & Deep Data of 3-CHLORO-1-BUTYNE (C4H5Cl)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 3-CHLORO-1-BUTYNE molecule contains a total of 9 bond(s). There are 4 non-H bond(s), 1 multiple bond(s), and 1 triple bond(s). Images of the chemical structure of 3-CHLORO-1-BUTYNE are given below:

The 2D chemical structure image of 3-CHLORO-1-BUTYNE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3-CHLORO-1-BUTYNE 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 3-CHLORO-1-BUTYNE 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 3-CHLORO-1-BUTYNE. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 3-CHLORO-1-BUTYNE Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 3-CHLORO-1-BUTYNE

  The SMILES string of 3-CHLORO-1-BUTYNE is CC(Cl)C#C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 3-CHLORO-1-BUTYNE.

• Structure Data File (SDF/MOL File) of 3-CHLORO-1-BUTYNE

  The structure data file (SDF/MOL File) of 3-CHLORO-1-BUTYNE is available for download in the SDF page of 3-CHLORO-1-BUTYNE, which provides the information about the atoms, bonds, connectivity and coordinates of 3-CHLORO-1-BUTYNE. The 3-CHLORO-1-BUTYNE structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 3-CHLORO-1-BUTYNE

  The molecular formula of 3-CHLORO-1-BUTYNE is available in chemical formula page of 3-CHLORO-1-BUTYNE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 3-CHLORO-1-BUTYNE

  The molecular weight of 3-CHLORO-1-BUTYNE is available in molecular weight page of 3-CHLORO-1-BUTYNE, 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 3-CHLORO-1-BUTYNE

  The 3-CHLORO-1-BUTYNE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 3-CHLORO-1-BUTYNE including the various registry numbers, if available:

  • I14-62401
  • MFCD00143109
  • ANW-24312
  • 3-Chloro-1-butyne, AldrichCPR
  • 2-Chloro-3-butyne
  • 21020-24-6
  • 1-Butyne, 3-chloro-
  • 3-CHLORO-1-BUTYNE

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3-CHLORO-1-BUTYNE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 3-CHLORO-1-BUTYNE?
C4H5Cl
How many atoms and what are the elements included the 3-CHLORO-1-BUTYNE molecule?
10 atom(s) - 5 Hydrogen atom(s), 4 Carbon atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are included the 3-CHLORO-1-BUTYNE structure?
9 bond(s) - 4 non-H bond(s), 1 multiple bond(s), and 1 triple bond(s)
What’s the 3-CHLORO-1-BUTYNE’s molecular weight?
88.5355 g/mol
What’s the SMILES code of 3-CHLORO-1-BUTYNE?
CC(Cl)C#C
What’s the InChI string of 3-CHLORO-1-BUTYNE?
InChI=1S/C4H5Cl/c1-3-4(2)5/h1,4H,2H3
What’s the InChIKey code of 3-CHLORO-1-BUTYNE?
PZFBULOUMNPBFA-UHFFFAOYSA-N

1202 The contents of this page can freely be shared if cited as follows:
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).