7-Fluoro-4-nitrobenzo-2-oxa-1,3-diazole

C₆H₂FN₃O₃CAS 29270-56-2183.10 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₂FN₃O₃
Molar mass: 183.10 g/mol
Exact mass: 183.0080 Da
logP: 1.27Crippen estimate
Polar surface area: 82.1 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 1

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

29270-56-2

SMILES

C1=C(C2=NON=C2C(=C1)F)[N+](=O)[O-]

InChIKey

PGZIDERTDJHJFY-UHFFFAOYSA-N

InChI

InChI=1S/C6H2FN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H

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Names and synonyms

1 names

4-Fluoro-7-nitrobenzofurazan

Work with 7-Fluoro-4-nitrobenzo-2-oxa-1,3-diazole

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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