4-Amino-3-nitrobenzenesulfonic acid

C₆H₆N₂O₅SCAS 616-84-2218.18 g/mol

Open in Covalent MOL file

Nitro Primary amine Sulfonic acid

Properties

Molecular formula: C₆H₆N₂O₅S
Molar mass: 218.18 g/mol
Exact mass: 217.9997 Da
Melting point: above 300 °C
logP: 0.42Crippen estimate
Polar surface area: 123.5 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 2

Identifiers

CAS number

616-84-2

SMILES

Nc1ccc(S(=O)(=O)O)cc1[N+](=O)[O-]

InChIKey

VZLLZDZTQPBHAZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N2O5S/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10/h1-3H,7H2,(H,11,12,13)

Weigh it out

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

Names and synonyms

7 names

NSC 638700
NSC 39866
NSC 51813
Benzenesulfonic acid, 4-amino-3-nitro-
Sulfanilic acid, 3-nitro-
2-Nitroaniline-4-sulfonic acid
1-Amino-6-nitrobenzene-4-sulphonic acid

Work with 4-Amino-3-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

3-Amino-4-hydroxy-5-nitrobenzenesulfonic acid96-93-566 % similar 4-Chloro-3-nitrobenzenesulfonic acid121-18-665 % similar Sodium 2-nitroaniline-4-sulfonate5042-33-163 % similar Nitro-1,4-benzenediamine sulfate (1:1)68239-83-860 % similar 3,4-Diaminobenzenesulfonic acid7474-78-458 % similar 4-Amino-3-nitrophenol610-81-156 % similar Flavianic acid483-84-156 % similar Aniline-2,4-disulfonic acid137-51-955 % similar

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

Same formula

4-Nitroaniline-2-sulfonic acid96-75-3

Elsewhere

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