Basic information
- CAS
309927-07-9- Standard SMILES
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc(F)cc1Br- InChIKey
JKWJAKPQZYEFSO-UHFFFAOYSA-N- Molecular formula
- C19H10BrFN2O3
- Average molar mass
- 413.2 g/mol
- Monoisotopic mass
- 411.98588
Names & identifiers
- Preferred name
- 2-amino-4-(2-bromo-4-fluorophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
- IUPAC
- 2-amino-4-(2-bromo-4-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
- English name
- 2-amino-4-(2-bromo-4-fluorophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
- Molecular formula
- C19H10BrFN2O3
- Molecular weight
- 413.2
Names & synonyms
309927-07-92-amino-4-(2-bromo-4-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile2-amino-4-(2-bromo-4-fluorophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrileChemDiv1_003774HMS597L12CCG-16735STK871830AKOS001615137AK-777/37198009SR-01000434821SR-01000434821-12-amino-4-(2-bromo-4-fluorophenyl)-5-oxo-4,5-dihydropyrano[3,2-c]chromene-3-carbonitrile
Show more names
4H,5H-Pyrano[3,2-c][1]benzopyran-3-carbonitrile, 2-amino-4-(2-bromo-4-fluorophenyl)-5-oxo-
Database identifiers
- CAS
309927-07-9- PubChem CID
- 3442894
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 740
Physicochemical properties
- Boiling point
- 644.2 · 644.2±55.0 °C(Predicted)
- Density
- 1.74 · 1.74±0.1 g/cm3(Predicted)
- pka
- 3.02 · 3.02±0.40(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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