Basic information
- Standard SMILES
O=[N+]([O-])c1cc(Br)ccc1-c1cc2ccccc2c2ccccc12- InChIKey
KCNQXTCFWRXIIB-UHFFFAOYSA-N- Molecular formula
- C20H12BrNO2
- Average molar mass
- 378.2 g/mol
- Monoisotopic mass
- 377.00514
Names & identifiers
- Preferred name
- 9-(4-Bromo-2-nitrophenyl)phenanthrene
- IUPAC
- 9-(4-bromo-2-nitrophenyl)phenanthrene
Names & synonyms
SCHEMBL1903204KCNQXTCFWRXIIB-UHFFFAOYSA-N9-(4-bromo-2-nitrophenyl)phenanthrene
Database identifiers
- PubChem CID
- 86669971
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 465
Related reactions
2 records
Compound notes
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