Basic information
- CAS
114039-33-7- Standard SMILES
N#Cc1cc2c(ccc3cc(Br)ccc32)oc1=O- InChIKey
TZIHUOQTGYPTOJ-UHFFFAOYSA-N- Molecular formula
- C14H6BrNO2
- Average molar mass
- 300.11 g/mol
- Monoisotopic mass
- 298.95819
Names & identifiers
- Preferred name
- 8-Bromo-3-oxo-3H-naphtho[2,1-b]pyran-2-carbonitrile
- IUPAC
- 8-bromo-3-oxobenzo[f]chromene-2-carbonitrile
Names & synonyms
114039-33-78-Bromo-3-oxo-3H-naphtho[2,1-b]pyran-2-carbonitrileDTXSID10548140
Database identifiers
- CAS
114039-33-7- PubChem CID
- 13740941
- DTXSID
DTXSID10548140
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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