Furazan, di-p-anisoyl-, 2-oxide
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Basic information
- CAS
40499-78-3- Standard SMILES
COc1ccc(C(=O)c2no[n+]([O-])c2C(=O)c2ccc(OC)cc2)cc1- InChIKey
FSLCSENNTORBKX-UHFFFAOYSA-N- Molecular formula
- C18H14N2O6
- Average molar mass
- 354.3 g/mol
- Monoisotopic mass
- 354.08518617
Names & identifiers
- Preferred name
- Furazan, di-p-anisoyl-, 2-oxide
- IUPAC
- [4-(4-methoxybenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(4-methoxyphenyl)methanone
- English name
- Furazan, di-p-anisoyl-,2-oxide
- Molecular formula
- C18H14N2O6
- Molecular weight
- 354.31
Names & synonyms
40499-78-3furazan,di-p-anisoyl-,2-oxide3,4-Bis(4-methoxybenzoyl)-1,2,5-oxadiazole 2-oxideFurazan, di-p-anisoyl-, 2-oxide[4-(4-methoxybenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(4-methoxyphenyl)methanoneMLS000079127CHEMBL1325877Methanone, (2-oxido-1,2,5-oxadiazole-3,4-diyl)bis[(4-methoxyphenyl)-SMR000038404BIS(4-METHOXYBENZOYL)-1,2,5-OXADIAZOL-2-IUM-2-OLATEFurazan, di-p-anisoyl-,2-oxideNSC144988
Show more names
3,4-bis(4-methoxybenzeneformyl)-1,2,5-diazole2-oxy
cid_286532SCHEMBL2117370BDBM35494DTXSID60301621HMS2310H123,4-di(4-meth-oxybenzoyl)furoxanBDBM50532918AKOS028108660
Database identifiers
- CAS
40499-78-3- PubChem CID
- 286532
- DTXSID
DTXSID60301621- ChEMBL
CHEMBL1325877
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 500
Physicochemical properties
- Boiling point
- 591.6 · 591.6±60.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- -4.03 · -4.03±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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