chempirical

3-Amino-5-chloro-2-hydroxybenzenesulfonic acid

C6H6ClNO4SCAS 88-23-3223.63 g/mol

Open in Covalent MOL file
NH2ClSOOOHHO
Aryl halidePhenolPrimary amineSulfonic acid

Properties

Molecular formula
C6H6ClNO4S
Molar mass
223.63 g/mol
Exact mass
222.9706 Da
logP
0.87Crippen estimate
Polar surface area
100.6 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Identifiers

CAS number
88-23-3
SMILES
Nc1cc(Cl)cc(S(=O)(=O)O)c1O
InChIKey
YCTAOQGPWNTYJE-UHFFFAOYSA-N
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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • Benzenesulfonic acid, 3-amino-5-chloro-2-hydroxy-
  • Metanilic acid, 5-chloro-2-hydroxy-
  • 1-Phenol-2-sulfonic acid, 6-amino-4-chloro-
  • 6-Amino-4-chloro-1-phenol-2-sulfonic acid
  • 2-Amino-4-chlorophenol-6-sulfonic acid
  • 2-Hydroxy-3-amino-5-chlorobenzenesulfonic acid
  • 2-Amino-4-chloro-6-sulfophenol
  • 4-Chloro-2-aminophenol-6-sulfonic acid
  • 5-Chloro-2-hydroxymetanilic acid
  • 1-Amino-5-chloro-2-hydroxy-3-benzenesulfonic acid
  • 6-Amino-4-chlorophenol-2-sulfonic acid
  • NSC 7539
  • 3-Amino-5-chloro-2-hydroxybenzene-1-sulfonic acid

Work with 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Aminophenol-4,6-disulfonic acid120-98-966 % similar 2-Amino-5-chlorobenzenesulfonic acid133-74-461 % similar 2-Amino-4-nitrophenol-6-sulfonic acid96-67-355 % similar 2-Amino-1-naphthol-4-sulfonic acid567-13-553 % similar 2-Amino-4,6-dichlorophenol527-62-851 % similar 2-Amino-4,5-dichlorobenzenesulfonic acid6331-96-051 % similar 4,6-Diamino-1,3-benzenedisulfonic acid137-50-850 % similar 4-Amino-2,5-dichlorobenzenesulfonic acid88-50-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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