chempirical

2,1,3-Benzoxadiazole-5-carboxylic acid

C7H4N2O3CAS 19155-88-5164.12 g/mol

Open in Covalent MOL file
OHONON
Carboxylic acid

Properties

Molecular formula
C7H4N2O3
Molar mass
164.12 g/mol
Exact mass
164.0222 Da
logP
0.92Crippen estimate
Polar surface area
76.2 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
19155-88-5
SMILES
O=C(O)c1ccc2nonc2c1
InChIKey
WZUFYJFTOVGJJT-UHFFFAOYSA-N
InChI
InChI=1S/C7H4N2O3/c10-7(11)4-1-2-5-6(3-4)9-12-8-5/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

4 names
  • 5-Benzofurazancarboxylic acid
  • Benzo[1,2,5]oxadiazole-5-carboxylic acid
  • Benzo[2,1,3]oxadiazole-5-carboxylic acid
  • Benzo[c][1,2,5]oxadiazole-5-carboxylic acid

Work with 2,1,3-Benzoxadiazole-5-carboxylic 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

2,1,3-Benzoxadiazole-5-carbonyl chloride126147-86-259 % similar 1H-Benzimidazole-5-carboxylic acid15788-16-654 % similar 5-Carboxybenzofuroxan6086-24-454 % similar 2,6-Naphthalenedicarboxylic acid1141-38-452 % similar Terephthalic acid100-21-050 % similar 6-Quinolinecarboxylic acid10349-57-250 % similar 6-Benzothiazolecarboxylic acid3622-35-350 % similar Trimellitic acid528-44-948 % similar

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

Same formula

4-Nitrophenyl isocyanate100-28-7 4-Cyano-2-nitrophenol3272-08-0 2-Nitrophenyl isocyanate3320-86-3 3-Nitrophenyl isocyanate3320-87-4

Elsewhere

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