Ethanol, 2,2'-((7-nitro-4-benzofurazanyl)imino)bis-, oxide
Basic information
- CAS
58131-55-8- Standard SMILES
O=[N+]([O-])c1ccc(N(CCO)CCO)c2c1no[n+]2[O-]- InChIKey
TXBLXYIFRHQOPU-UHFFFAOYSA-N- Molecular formula
- C10H12N4O6
- Average molar mass
- 284.23 g/mol
- Monoisotopic mass
- 284.07568412
Names & identifiers
- Preferred name
- Ethanol, 2,2'-((7-nitro-4-benzofurazanyl)imino)bis-, oxide
- IUPAC
- 2-[2-hydroxyethyl-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]ethanol
Names & synonyms
MLS00311515358131-55-8NSC-228109ETHANOL, 2,2'-((7-NITRO-4-BENZOFURAZANYL)IMINO)BIS-, OXIDEEthanol, 2,2'-[(7-nitro-4-benzofurazanyl)imino]bis-, oxideNSC228109772VH9VF2DCHEMBL1896348DTXSID30206856WLN: T56 BNONJ FNW IN2Q2Q XOSMR001830736BRD-K32972113-001-04-3
Show more names
Ethanol,2'-[(7-nitro-4-benzofurazanyl)imino]bis-, N-oxideEthanol,2'-[(7-nitro-4-benzofurazanyl)imino]bis-, oxideNitro-4-benzofurazanyl)imino)bis-ethanol oxide, 2,2'-((7-2,2'-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-4-yl)imino]bis[ethanol]2,2'-[(4-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazol-7-yl)azanediyl]di(ethan-1-ol)
Database identifiers
- CAS
58131-55-8- PubChem CID
- 313582
- DTXSID
DTXSID30206856- ChEMBL
CHEMBL1896348- UNII
- 772VH9VF2D
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
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Related reactions
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Compound notes
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