4-Diazo-3,4-dihydro-7-nitro-3-oxo-1-naphthalenesulfonic acid

C₁₀H₅N₃O₆SCAS 63589-25-3295.23 g/mol

Open in Covalent MOL file

Alkene Imine Ketone Nitro Sulfonic acid

Properties

Molecular formula: C₁₀H₅N₃O₆S
Molar mass: 295.23 g/mol
Exact mass: 294.9899 Da
logP: 0.43Crippen estimate
Polar surface area: 151.0 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Identifiers

CAS number

63589-25-3

SMILES

[N-]=[N+]=C1C(=O)C=C(S(=O)(=O)O)c2cc([N+](=O)[O-])ccc21

InChIKey

ARWGNJSGPHDIKK-UHFFFAOYSA-N

InChI

InChI=1S/C10H5N3O6S/c11-12-10-6-2-1-5(13(15)16)3-7(6)9(4-8(10)14)20(17,18)19/h1-4H,(H,17,18,19)

Weigh it out

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

Names and synonyms

6 names

1-Naphthalenesulfonic acid, 4-diazo-3,4-dihydro-7-nitro-3-oxo-
1-Naphthalenediazonium, 2-hydroxy-6-nitro-4-sulfo-, hydroxide, inner salt
1-Diazo-2-oxo-6-nitronaphthalene-4-sulfonic acid
6-Nitro-1,2-diazooxonaphthalene-4-sulfonic acid
1-Diazo-2-hydroxy-6-nitro-4-naphthalenesulfonic acid
6-Nitro-4-sulfo-2,1-naphthoquinone diazide

Work with 4-Diazo-3,4-dihydro-7-nitro-3-oxo-1-naphthalenesulfonic 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-Nitrophthalic anhydride5466-84-238 % similar 5-Nitro-2-carboxybenzenesulfonic acid potassium salt5344-48-938 % similar 4-Nitro-1,2-benzenedicarboxamide13138-53-938 % similar 2,7-Dinitro-9-fluorenone31551-45-837 % similar 2,5-Dinitrobenzoic acid610-28-637 % similar 2,4-Dinitrobenzoic acid610-30-037 % similar 4,4′-Dinitro-2,2′-stilbenedisulfonic acid128-42-736 % similar 2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione41663-84-736 % similar

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

Same formula

4-Diazo-3,4-dihydro-7-nitro-3-oxo-1-naphthalenesulfonic acid5366-84-7

Elsewhere

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