Molecular Weight of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid (C6H6ClNO4S)

Molecular Weight Description

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

• 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 on 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 chemistry-related software, providing three-dimensional visualization and further analysis.

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

  The molecular structure image of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid is available in chemical structure page of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid and the chemical bonds that hold the atoms together.

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

  The molecular formula of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid is given 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.

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• InChI (IUPAC International Chemical Identifier) information of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid

  In addition to the molecular weight information, the structural information of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid in a textual expression is available via InChi. The full standard InChI of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid is given below:

  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)

  It can provide a way to encode the molecular information of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid 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-Amino-5-chloro-2-hydroxybenzenesulfonic acid is:

  InChIKey=YCTAOQGPWNTYJE-UHFFFAOYSA-N

  It may allow easier web searches for 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid as the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid

  There may be different names of the 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid compound depending on the various situations of industrial applications, which are given below including the 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 formula of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid?
C6H6ClNO4S
How many atoms and what are the elements in 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 types of bonds are in 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 molar mass of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid?
223.63384 g/mol
What’s the SMILES format of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid?
Nc1cc(Cl)cc(c1O)S(O)(=O)=O
What’s the InChI format 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 string of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid?
YCTAOQGPWNTYJE-UHFFFAOYSA-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).