chempirical

2-Amino-4-nitrophenol-6-sulfonic acid

C6H6N2O6SCAS 96-67-3234.18 g/mol

Open in Covalent MOL file
NH2N+OO−SOOOHHO
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
96-67-3
SMILES
Nc1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1O
InChIKey
DQIVFTJHYKDOMZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O6S/c7-4-1-3(8(10)11)2-5(6(4)9)15(12,13)14/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

14 names · show all
  • Benzenesulfonic acid, 3-amino-2-hydroxy-5-nitro-
  • Metanilic acid, 2-hydroxy-5-nitro-
  • 1-Phenol-2-sulfonic acid, 6-amino-4-nitro-
  • 3-Amino-2-hydroxy-5-nitrobenzenesulfonic acid
  • 6-Amino-4-nitro-1-phenol-2-sulfonic acid
  • 1-Hydroxy-2-amino-4-nitrobenzene-6-sulfonic acid
  • 2-Aminophenol-4-nitro-6-sulfonic acid
  • 4-Nitro-2-aminophenol-6-sulfonic acid
  • 2-Hydroxy-5-nitro-3-sulfoaniline
  • 1-Amino-2-hydroxy-5-nitro-3-benzenesulfonic acid
  • 2-Amino-4-nitro-6-sulfophenol
  • 6-Amino-4-nitrophenol-2-sulfonic acid
  • NSC 7541
  • 3-Amino-2-hydroxy-5-nitrobenzene-1-sulfonic acid

Work with 2-Amino-4-nitrophenol-6-sulfonic 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-Nitroaniline-2-sulfonic acid96-75-366 % similar Picramic acid96-91-360 % similar 2-Aminophenol-4,6-disulfonic acid120-98-957 % similar 2-Amino-6-chloro-4-nitrophenol6358-09-457 % similar 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid88-23-355 % similar 4,4′-Dinitro-2,2′-stilbenedisulfonic acid128-42-752 % similar 2-Methyl-5-nitrobenzenesulfonic acid121-03-951 % similar 2-Chloro-5-nitrobenzenesulfonic acid96-73-151 % similar

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

Same formula

3-Amino-4-hydroxy-5-nitrobenzenesulfonic acid96-93-5

Elsewhere

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