Basic information
- CAS
2363720-15-2- Standard SMILES
O=[N+]([O-])c1ccc(O)c(C=Nc2cccc(O)c2)c1- InChIKey
UXUOJZYQLWPXPR-UHFFFAOYSA-N- Molecular formula
- C13H10N2O4
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.0640568
Names & identifiers
- Preferred name
- Phenol, 2-(3-hydroxyphenyliminomethyl)-4-nitro-
- IUPAC
- 2-[(3-hydroxyphenyl)iminomethyl]-4-nitrophenol
- English name
- 2-{[(3-hydroxyphenyl)imino]methyl}-4-nitrophenol
- Molecular formula
- C13H10N2O4
- Molecular weight
- 258.23
Names & synonyms
CHEMBL476165SCHEMBL12111895SCHEMBL27191241SCHEMBL29889144UXUOJZYQLWPXPR-RIYZIHGNSA-NBDBM50266799STK017035AKOS000483796ST0103512-((3-hydroxyphenylimino)methyl)-4-nitrophenolPhenol, 2-(3-hydroxyphenyliminomethyl)-4-nitro-2-{(E)-[(3-hydroxyphenyl)imino]methyl}-4-nitrophenol
Show more names
2-{[(3-hydroxyphenyl)imino]methyl}-4-nitrophenol
2-((E)-[(3-Hydroxyphenyl)imino]methyl)-4-nitrophenol #2-[(1E)-2-(3-hydroxyphenyl)-2-azavinyl]-4-nitrophenol
Database identifiers
- CAS
2363720-15-2- PubChem CID
- 620951
- ChEMBL
CHEMBL476165- EC Number
- 141-471-3
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- Boiling point
- 517.599 · 517.599±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.362 · 1.362±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.506 · 5.506±0.16(predicted)
Chemistry & industry
Suppliers1 total
ARONIS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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