Structure & Deep Data of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid (C6H6ClNO4S)

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-Amino-5-chloro-2-hydroxybenzenesulfonic acid molecule contains a total of 19 bond(s). There are 13 non-H bond(s), 8 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 primary amine(s) (aromatic), 1 hydroxyl group(s), 1 aromatic hydroxyl(s), and 1 sulfonic (thio-/dithio-) acid(s). Images of the chemical structure of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid are given below:

The 2D chemical structure image of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid 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-Amino-5-chloro-2-hydroxybenzenesulfonic acid 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-Amino-5-chloro-2-hydroxybenzenesulfonic acid. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid

  The SMILES string of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid is Nc1cc(Cl)cc(c1O)S(O)(=O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid.

• Structure Data File (SDF/MOL File) of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid

  The structure data file (SDF/MOL File) of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid is available for download in the SDF page of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid, which provides the information about the atoms, bonds, connectivity and coordinates of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid. The 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid

  The molecular formula of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid is available in chemical formula page of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid

  The molecular weight of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid is available in molecular weight page of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid, 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-Amino-5-chloro-2-hydroxybenzenesulfonic acid

  The 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid 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-Amino-5-chloro-2-hydroxybenzenesulfonic acid including the various registry numbers, if available:

  • AR-1F1839
  • 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid, AldrichCPR
  • 3-amino-5-chloro-2-hydroxy-1-benzenesulfonic acid
  • Metanilic acid, 5-chloro-2-hydroxy- (8CI)
  • 3-amino-5-chloro2-hydroxybenzenesulfonic acid
  • R1640
  • A0773
  • BAS 00109987
  • CAS-88-23-3
  • 2-Amino-4-chlorophenol-6-sulfonicacid

  • MFCD00035768
  • ANW-63080
  • ZX-AN024431
  • ALBB-025918
  • EC 201-813-5
  • W-100410
  • Metanilic acid, 5-chloro-2-hydroxy-
  • 3-Amino-5-chloro-2-hydroxy-benzenesulfonic acid
  • 3-Amino-5-chloro-2-hydroxybenzenesulphonic acid
  • 83IP35P6EZ

  • 6-Amino-4-chlorophenol-2-sulfonic acid
  • 2-Hydroxy-5-chlorometanilic acid
  • 4-Chloro-2-aminophenol-6-sulfonic acid
  • 6-Amino-4-chloro-1-phenol-2-sulfonic acid
  • Benzenesulfonic acid, 3-amino-5-chloro-2-hydroxy-
  • 2-Amino-4-chlorophenol-6-sulfonic Acid
  • 88-23-3
  • 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid

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3-Amino-5-chloro-2-hydroxybenzenesulfonic acid Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid?
C6H6ClNO4S
How many atoms and what are the elements included the 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid molecule?
19 atom(s) - 6 Hydrogen atom(s), 6 Carbon atom(s), 1 Nitrogen atom(s), 4 Oxygen atom(s), 1 Sulfur atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are included the 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid structure?
19 bond(s) - 13 non-H bond(s), 8 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 primary amine(s) (aromatic), 1 hydroxyl group(s), 1 aromatic hydroxyl(s), and 1 sulfonic (thio-/dithio-) acid(s)
What’s the 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid’s molecular weight?
223.63384 g/mol
What’s the SMILES code of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid?
Nc1cc(Cl)cc(c1O)S(O)(=O)=O
What’s the InChI string of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid?
InChI=1S/C6H6ClNO4S/c7-3-1-4(8)6(9)5(2-3)13(10,11)12/h1-2,9H,8H2,(H,10,11,12)
What’s the InChIKey code of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid?
YCTAOQGPWNTYJE-UHFFFAOYSA-N

19 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).