chempirical

5-Carboxybenzofuroxan

C7H4N2O4CAS 6086-24-4180.12 g/mol

Open in Covalent MOL file
OHONON+O−
Carboxylic acid

Properties

Molecular formula
C7H4N2O4
Molar mass
180.12 g/mol
Exact mass
180.0171 Da
logP
0.16Crippen estimate
Polar surface area
90.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
6086-24-4
SMILES
O=C(O)c1ccc2c(c1)no[n+]2[O-]
InChIKey
AXRCJZJVVZUOHN-UHFFFAOYSA-N
InChI
InChI=1S/C7H4N2O4/c10-7(11)4-1-2-6-5(3-4)8-13-9(6)12/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

5 names
  • 2,1,3-Benzoxadiazole-5-carboxylic acid, 1-oxide
  • 5-Benzofurazancarboxylic acid, 1-oxide
  • 5-Carboxybenzofurazan 1-oxide
  • NSC 343748
  • 1-Oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylic acid

Work with 5-Carboxybenzofuroxan

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

2,1,3-Benzoxadiazole-5-carboxylic acid19155-88-554 % similar 2,1,3-Benzothiadiazole-5-carboxylic acid16405-98-446 % similar Isophthalic acid121-91-544 % similar 2,6-Naphthalenedicarboxylic acid1141-38-443 % similar 3,4-Dichlorobenzoic acid51-44-543 % similar Terephthalic acid100-21-041 % similar Trimellitic acid528-44-941 % similar Isonicotinic acid N-oxide13602-12-540 % similar

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

Same formula

6-Nitro-2-benzoxazolone4694-91-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook