7-hydroxy-2-(4-nitrophenyl)-3-(o-tolyl)-4H-chromen-4-one
Basic information
- CAS
315233-80-8- Standard SMILES
Cc1ccccc1-c1c(-c2ccc([N+](=O)[O-])cc2)oc2cc(O)ccc2c1=O- InChIKey
MBKDFFZSXMJGAI-UHFFFAOYSA-N- Molecular formula
- C22H15NO5
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.09502258
Names & identifiers
- Preferred name
- 7-hydroxy-2-(4-nitrophenyl)-3-(o-tolyl)-4H-chromen-4-one
- IUPAC
- 7-hydroxy-3-(2-methylphenyl)-2-(4-nitrophenyl)chromen-4-one
- English name
- 7-Hydroxy-3-(2-methylphenyl)-2-(4-nitrophenyl)-4H-chromen-4-one
- Molecular formula
- C22H15NO5
- Molecular weight
- 373.36
Names & synonyms
Oprea1_441378Oprea1_567912AKOS003615595SR-01000444001SR-01000444001-1F0758-00787-hydroxy-2-(4-nitrophenyl)-3-(o-tolyl)-4H-chromen-4-one7-hydroxy-3-(2-methylphenyl)-2-(4-nitrophenyl)-4H-chromen-4-one4H-1-Benzopyran-4-one, 7-hydroxy-3-(2-methylphenyl)-2-(4-nitrophenyl)-
Database identifiers
- CAS
315233-80-8- PubChem CID
- 5800566
- EC Number
- 126-605-0
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 646
Physicochemical properties
- Boiling point
- 608.682 · 608.682±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.393 · 1.393±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.846 · 6.846±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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