Basic information
- CAS
18772-11-7- Standard SMILES
O=[N+]([O-])c1ccc2nonc2c1- InChIKey
UFCLPTABGUBVRR-UHFFFAOYSA-N- Molecular formula
- C6H3N3O3
- Average molar mass
- 165.11 g/mol
- Monoisotopic mass
- 165.01744097
Names & identifiers
- Preferred name
- 5-Nitro-2,1,3-benzoxadiazole
- IUPAC
- 5-nitro-2,1,3-benzoxadiazole
- English name
- 5-Nitro-2,1,3-benzoxadiazole
- Molecular weight
- 0
Names & synonyms
5-Nitro-2,1,3-benzoxadiazole5-Nitrobenzo[c][1,2,5]oxadiazole18772-11-7CHEMBL4466755Benzofurazan, 5-nitro-5-nitrobenzofurazanSCHEMBL95220SCHEMBL8476191SCHEMBL28587403DTXSID50336467UFCLPTABGUBVRR-UHFFFAOYSA-N5-Nitro-2,1,3-benzoxadiazole #
Show more names
5-Nitrobenzofurazane
BDBM50534834AKOS006273390
Database identifiers
- CAS
18772-11-7- PubChem CID
- 533952
- DTXSID
DTXSID50336467- ChEMBL
CHEMBL4466755- Nikkaji
- J121.813A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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