Basic information
- CAS
57543-86-9- Standard SMILES
O=[N+]([O-])C1=Cc2cc(Br)ccc2OC1c1ccccc1- InChIKey
KWFAUCDKPIFSQC-UHFFFAOYSA-N- Molecular formula
- C15H10BrNO3
- Average molar mass
- 332.15 g/mol
- Monoisotopic mass
- 330.98441
Names & identifiers
- Preferred name
- 6-Bromo-3-nitro-2-phenyl-2H-1-benzopyran
- IUPAC
- 6-bromo-3-nitro-2-phenyl-2H-chromene
- English name
- 6-Bromo-3-nitro-2-phenyl-2H-1-benzopyran
- Molecular formula
- C15H10BrNO3
- Molecular weight
- 332.15
Names & synonyms
6-Bromo-3-nitro-2-phenyl-2H-1-benzopyranBRN 13866182H-1-BENZOPYRAN, 6-BROMO-3-NITRO-2-PHENYL-DTXSID00973109RefChem:307510DTXCID20140056657543-86-96-bromo-3-nitro-2-phenyl-2H-chromeneOprea1_488392DB-318039AB-337/13036338
Database identifiers
- CAS
57543-86-9- PubChem CID
- 42452
- DTXSID
DTXSID00973109- Nikkaji
- J132.059I
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Boiling point
- 461.6 · 461.6±45.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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