Formula of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid (C6H6ClNO4S)
Identification of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid Chemical Compound
| Chemical Formula | C6H6ClNO4S |
|---|---|
| Molecular Weight | 223.63384 g/mol |
| IUPAC Name | 3-amino-5-chloro-2-hydroxybenzene-1-sulfonic acid |
| SMILES String | Nc1cc(Cl)cc(c1O)S(O)(=O)=O |
| InChI | 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) |
| InChIKey | YCTAOQGPWNTYJE-UHFFFAOYSA-N |
Chemical Formula Description
The 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid molecule contains a total of 19 atom(s). There are 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). A chemical formula of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid can therefore be written as:
C6H6ClNO4S
The chemical formula of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid 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.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid Molecule
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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 providing the information about the atoms, bonds, connectivity and coordinates of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid, which is not completely available in the chemical formula representation. The 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid
The chemical 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 specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid and the chemical bonds that hold the atoms together.
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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 specified in the chemical formula of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid.
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InChI (IUPAC International Chemical Identifier) information of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid is:
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 standard 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
The InChIKey may allow easier web searches for 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid, but it needs to be linked to the full InChI to get back to the original structure of the 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid
The 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid including the registry numbers is given below, 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
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 they in the 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid structure? |
| 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 are they 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 molecular weight of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid? |
| 223.63384 g/mol |
| What’s the SMILES string of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid? |
| Nc1cc(Cl)cc(c1O)S(O)(=O)=O |
| What’s the InChI 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 of 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid? |
| YCTAOQGPWNTYJE-UHFFFAOYSA-N |
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