Basic information
- CAS
52331-78-9- Standard SMILES
Cc1ccc(C=Nc2cc([N+](=O)[O-])ccc2O)o1- InChIKey
HRHVWELGVXYSFX-UHFFFAOYSA-N- Molecular formula
- C12H10N2O4
- Average molar mass
- 246.22 g/mol
- Monoisotopic mass
- 246.0640568
Names & identifiers
- Preferred name
- 2-[(5-Methylfuran-2-yl)methylideneamino]-4-nitrophenol
- IUPAC
- 2-[(5-methylfuran-2-yl)methylideneamino]-4-nitrophenol
- English name
- 2-{[(5-methyl-2-furyl)methylene]amino}-4-nitrophenol
- Molecular formula
- C12H10N2O4
- Molecular weight
- 246.22
Names & synonyms
52331-78-9AN-329/11482386Phenol, 2-[[(5-methyl-2-furanyl)methylene]amino]-4-nitro-2-[(5-methylfuran-2-yl)methylideneamino]-4-nitrophenol4-nitro-2-{[(5-methyl-2-furyl)methylene]amino}phenolDTXSID20356778STK035895AKOS000486142ST450330112-[(1E)-2-(5-methyl(2-furyl))-1-azavinyl]-4-nitrophenol2-{(E)-[(5-Methylfuran-2-yl)methylidene]amino}-4-nitrophenol2-{[(E)-(5-methylfuran-2-yl)methylidene]amino}-4-nitrophenol
Show more names
2-{[(5-methyl-2-furyl)methylene]amino}-4-nitrophenol
Database identifiers
- CAS
52331-78-9- PubChem CID
- 832579
- DTXSID
DTXSID20356778
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
- 18
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Boiling point
- 468.4 · 468.4±45.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 6.6 · 6.60±0.30(Predicted)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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