Basic information
- CAS
65703-47-1- Standard SMILES
O=[N+]([O-])c1ccc(NCCO)c2nonc12- InChIKey
YYIBRXXNWYMKRO-UHFFFAOYSA-N- Molecular formula
- C8H8N4O4
- Average molar mass
- 224.17 g/mol
- Monoisotopic mass
- 224.05455475
Names & identifiers
- Preferred name
- Ethanol, 2-((7-nitro-4-benzofurazanyl)amino)-
- IUPAC
- 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethanol
Names & synonyms
65703-47-1ETHANOL, 2-((7-NITRO-4-BENZOFURAZANYL)AMINO)-BRN 59628222-((7-Nitro-4-benzofurazanyl)amino)ethanolSCHEMBL84270492-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethan-1-olDTXSID50215920TQP0983AKOS0089231704-(2-hydroxyethylamino)-7-nitro-2,1,3-benzoxadiazole2-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)ethanol2-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)ethan-1-ol
Database identifiers
- CAS
65703-47-1- PubChem CID
- 47704
- DTXSID
DTXSID50215920- Nikkaji
- J1.794.760E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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