Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-
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Basic information
- CAS
58131-52-5- Standard SMILES
CN1CCN(c2ccc([N+](=O)[O-])c3nonc23)CC1- InChIKey
NKLHPLDRPGAXTQ-UHFFFAOYSA-N- Molecular formula
- C11H13N5O3
- Average molar mass
- 263.25 g/mol
- Monoisotopic mass
- 263.10183929
Names & identifiers
- Preferred name
- Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-
- IUPAC
- 7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole
- English name
- 4-(4-Methylpiperazino)-7-nitro-2,1,3-benzoxadiazole
- Molecular formula
- C11H13N5O3
- Molecular weight
- 263.25
Names & synonyms
58131-52-5BENZOFURAZAN, 4-(4-METHYL-1-PIPERAZINYL)-7-NITRO-4-Nitro-7-(N-methylpiperazinyl)benzofurazan4-(4-Methyl-1-piperazinyl)-7-nitrobenzofurazanDTXSID50206853NSC 228141RefChem:326481DTXCID801293444-(4-methylpiperazin-1-yl)-7-nitro-2,1,3-benzoxadiazoleNSC2281414-(4-methylpiperazino)-7-nitro-2,1,3-benzoxadiazoleSCHEMBL6391113
Show more names
4-(4-Methyl-1-piperazinyl)-7-nitrobenzofurazane2,1,3-Benzoxadiazole, 4-(4-methyl-1-piperazinyl)-7-nitro-
TQP1014STK523844AKOS001426390CCG-354217NSC-228141DB-305065ST4111497WLN: T56 BNONJ FNW I- AT6N DNTJ D1
Database identifiers
- CAS
58131-52-5- PubChem CID
- 42636
- DTXSID
DTXSID50206853- Nikkaji
- J71.579D
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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