Basic information
- CAS
57543-90-5- Standard SMILES
COc1cc(Br)cc2c1OC(c1ccccc1)C([N+](=O)[O-])=C2- InChIKey
VWXJLDUSNSBUFE-UHFFFAOYSA-N- Molecular formula
- C16H12BrNO4
- Average molar mass
- 362.17 g/mol
- Monoisotopic mass
- 360.99497
Names & identifiers
- Preferred name
- 6-Bromo-8-methoxy-3-nitro-2-phenyl-2H-1-benzopyran
- IUPAC
- 6-bromo-8-methoxy-3-nitro-2-phenyl-2H-chromene
- English name
- 6-Bromo-8-methoxy-3-nitro-2-phenyl-2H-1-benzopyran
- Molecular formula
- C16H12BrNO4
- Molecular weight
- 362.17
Names & synonyms
6-Bromo-8-methoxy-3-nitro-2-phenyl-2H-1-benzopyran57543-90-5BRN 13950892H-1-BENZOPYRAN, 6-BROMO-8-METHOXY-3-NITRO-2-PHENYL-DTXSID30973112DB-318068
Database identifiers
- CAS
57543-90-5- PubChem CID
- 42455
- DTXSID
DTXSID30973112- Nikkaji
- J132.056D
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 444
Physicochemical properties
- Boiling point
- 485.4 · 485.4±45.0 °C(Predicted)
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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