chempirical

Flavianic acid

C10H6N2O8SCAS 483-84-1314.22 g/mol

Open in Covalent MOL file
ON+O−N+OO−SOOOHOH
NitroPhenolSulfonic acid

Properties

Molecular formula
C10H6N2O8S
Molar mass
314.22 g/mol
Exact mass
313.9845 Da
Melting point
150 °C
logP
1.61Crippen estimate
Polar surface area
160.9 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
3

Identifiers

CAS number
483-84-1
SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c2ccc(S(=O)(=O)O)cc2c1O
InChIKey
FCQJEPASRCXVCB-UHFFFAOYSA-N
InChI
InChI=1S/C10H6N2O8S/c13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17/h1-4,13H,(H,18,19,20)

Weigh it out

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

Names and synonyms

6 names
  • 2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-
  • 8-Hydroxy-5,7-dinitro-2-naphthalenesulfonic acid
  • 2,4-Dinitro-1-naphthol-7-sulfonic acid
  • DNNS
  • NSC 243753
  • NSC 244041

Work with Flavianic 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

Martius yellow605-69-659 % similar 3-Amino-4-hydroxy-5-nitrobenzenesulfonic acid96-93-557 % similar 4-Chloro-3-nitrobenzenesulfonic acid121-18-656 % similar 4-Amino-3-nitrobenzenesulfonic acid616-84-256 % similar 4-Nitrobenzenesulfonic acid138-42-154 % similar 3-Nitrobenzenesulfonic acid98-47-549 % similar Styphnic acid82-71-346 % similar 2,4-Dinitrobenzenesulfonic acid89-02-145 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook