Benzofurazan, 4-(4-(2-methoxyphenyl)-1-piperazinyl)-7-nitro-, 3-oxide

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Basic information

CAS: 62884-26-8
Standard SMILES: COc1ccccc1N1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1
InChIKey: WZXKCRLOVJWYHO-UHFFFAOYSA-N
Molecular formula: C17H17N5O5
Average molar mass: 371.3 g/mol
Monoisotopic mass: 371.12296866

Names & identifiers

Preferred name: Benzofurazan, 4-(4-(2-methoxyphenyl)-1-piperazinyl)-7-nitro-, 3-oxide
IUPAC: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
English name: 7-[4-(2-Methoxyphenyl)-1-piperazinyl]-4-nitrobenzofurazane 1-oxide
Molecular formula: C17H17N5O5
Molecular weight: 371.35

Names & synonyms

62884-26-8BENZOFURAZAN, 4-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)-7-NITRO-, 3-OXIDE7-[4-(2-Methoxyphenyl)-1-piperazinyl]-4-nitrobenzofurazane 1-oxide4-(4-(2-Methoxyphenyl)-1-piperazinyl)-7-nitrobenzofurazan 3-oxideDTXSID50212050NSC228107NSC 228107NSC-228107DB-2199434-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)-7-NITRO-BENZOFURAZAN 3-OXIDE7-[4-(2-Methoxyphenyl)piperazin-1-yl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole7-[4-(2-Methoxyphenyl)-1-piperazinyl]-4-nitrobenzofurazan 1-oxide

Show more names

2,1,3-Benzoxadiazole, 4-[4-(2-methoxyphenyl)-1-piperazinyl]-7-nitro-, 3-oxide

Database identifiers

CAS: 62884-26-8
PubChem CID: 44184
DTXSID: DTXSID50212050
Nikkaji: J1.113D

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 113 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 526

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Compound notes

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