chempirical

2,1,3-Benzoxadiazole

C6H4N2OCAS 273-09-6120.11 g/mol

Open in Covalent MOL file
NON

Properties

Molecular formula
C6H4N2O
Molar mass
120.11 g/mol
Exact mass
120.0324 Da
Density
1.155 g/mL (at 65 °C)
Melting point
53 °C
logP
1.22Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
273-09-6
SMILES
c1ccc2nonc2c1
InChIKey
AWBOSXFRPFZLOP-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2O/c1-2-4-6-5(3-1)7-9-8-6/h1-4H

Weigh it out

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

Names and synonyms

4 names
  • Benzofurazan
  • 2-Oxa-1,3-diaza-2H-isoindene
  • Benzo-2,1,3-oxadiazole
  • Benzo[c][1,2,5]oxadiazole

Work with 2,1,3-Benzoxadiazole

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-Benzoxadiazol-4-amine767-63-548 % similar Phenazine92-82-047 % similar Anthranil271-58-943 % similar 2,1,3-Benzoxadiazole-4-carboxaldehyde32863-32-443 % similar Quinoxaline91-19-042 % similar Benzo(C)cinnoline230-17-140 % similar 2,1,3-Benzothiadiazole273-13-240 % similar 2,1,3-Benzoselenadiazole273-15-440 % similar

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

Same formula

4-Cyanopyridine N-oxide14906-59-3 3-Cyanopyridine 1-oxide14906-64-0 3-Cyano-2-pyridone20577-27-9 3-Hydroxy-2-pyridinecarbonitrile932-35-4 1,6-Dihydro-6-oxo-3-pyridinecarbonitrile94805-52-4

Elsewhere

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