N-[[5-(3-nitrophenyl)furan-2-yl]methylidene]hydroxylamine
Basic information
- CAS
13130-07-9- Standard SMILES
O=[N+]([O-])c1cccc(-c2ccc(C=NO)o2)c1- InChIKey
OQNFGUGJYRQEJL-UHFFFAOYSA-N- Molecular formula
- C11H8N2O4
- Average molar mass
- 232.19 g/mol
- Monoisotopic mass
- 232.04840674
Names & identifiers
- Preferred name
- N-[[5-(3-nitrophenyl)furan-2-yl]methylidene]hydroxylamine
- IUPAC
- N-[[5-(3-nitrophenyl)furan-2-yl]methylidene]hydroxylamine
- English name
- 2-Furancarboxaldehyde, 5-(3-nitrophenyl)-, oxime
- Molecular formula
- C11H8N2O4
- Molecular weight
- 232.19
Names & synonyms
N-[[5-(3-nitrophenyl)furan-2-yl]methylidene]hydroxylamine13130-07-9N-{[5-(3-NITROPHENYL)FURAN-2-YL]METHYLIDENE}HYDROXYLAMINEDTXSID903514775-(3-nitrophenyl)-2-furaldehyde oxime(E)-5-(3-nitrophenyl)furan-2-carbaldehyde oxime2-Furancarboxaldehyde, 5-(3-nitrophenyl)-, oxime(E)-N-hydroxy-1-[5-(3-nitrophenyl)furan-2-yl]methanimine(NE)-N-[[5-(3-nitrophenyl)furan-2-yl]methylidene]hydroxylamine
Database identifiers
- CAS
13130-07-9- PubChem CID
- 701077
- DTXSID
DTXSID90351477
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Melting point
- 158 · 158-160 °C
- Boiling point
- 408.7 · 408.7±40.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 11.17 · 11.17±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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