5,7-Dinitro-1,2,3-benzoxadiazole

C₆H₂N₄O₅CAS 87-31-0210.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂N₄O₅
Molar mass: 210.10 g/mol
Exact mass: 210.0025 Da
Melting point: 158 °C
logP: 1.04Crippen estimate
Polar surface area: 125.2 Å²
H-bond donors / acceptors: 0 / 7
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

87-31-0

SMILES

O=[N+]([O-])c1cc([N+](=O)[O-])c2onnc2c1

InChIKey

IFYCOVMLDMKOHK-UHFFFAOYSA-N

InChI

InChI=1S/C6H2N4O5/c11-9(12)3-1-4-6(15-8-7-4)5(2-3)10(13)14/h1-2H

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Names and synonyms

1 names

1,2,3-Benzoxadiazole, 5,7-dinitro-

Work with 5,7-Dinitro-1,2,3-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

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

Elsewhere

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