chempirical

3-Amino-4-hydroxy-5-nitrobenzenesulfonic acid

C6H6N2O6SCAS 96-93-5234.18 g/mol

Open in Covalent MOL file
NH2SOOOHN+OO−HO
NitroPhenolPrimary amineSulfonic acid

Properties

Molecular formula
C6H6N2O6S
Molar mass
234.18 g/mol
Exact mass
233.9947 Da
logP
0.13Crippen estimate
Polar surface area
143.8 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2

Identifiers

CAS number
96-93-5
SMILES
Nc1cc(S(=O)(=O)O)cc([N+](=O)[O-])c1O
InChIKey
RHPXYZMDLOJTFF-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O6S/c7-4-1-3(15(12,13)14)2-5(6(4)9)8(10)11/h1-2,9H,7H2,(H,12,13,14)

Weigh it out

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

Names and synonyms

12 names
  • Benzenesulfonic acid, 3-amino-4-hydroxy-5-nitro-
  • Metanilic acid, 4-hydroxy-5-nitro-
  • 1-Phenol-4-sulfonic acid, 2-amino-6-nitro-
  • 2-Amino-6-nitro-1-phenol-4-sulfonic acid
  • 4-Hydroxy-5-nitrometanilic acid
  • 6-Nitro-2-aminophenol-4-sulfonic acid
  • 3-Amino-5-nitro-4-hydroxybenzenesulfonic acid
  • 2-Amino-6-nitrophenol-4-sulfonic acid
  • 2-Hydroxy-3-nitro-5-sulfoaniline
  • 2-Amino-6-nitro-4-sulfophenol
  • 1-Amino-2-hydroxy-3-nitro-5-benzenesulfonic acid
  • 3-Amino-4-hydroxy-5-nitrobenzene-1-sulfonic acid

Work with 3-Amino-4-hydroxy-5-nitrobenzenesulfonic 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

4-Amino-3-nitrobenzenesulfonic acid616-84-266 % similar Picramic acid96-91-360 % similar 2-Aminophenol-4,6-disulfonic acid120-98-957 % similar 2-Amino-4-methyl-6-nitrophenol6265-07-257 % similar 2-Amino-4-chloro-6-nitrophenol6358-08-357 % similar Flavianic acid483-84-157 % similar 4-Chloro-3-nitrobenzenesulfonic acid121-18-651 % similar 3-Amino-2-hydroxy-5-sulfobenzoic acid6201-86-150 % similar

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

Same formula

2-Amino-4-nitrophenol-6-sulfonic acid96-67-3

Elsewhere

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