Basic information
- Standard SMILES
Brc1ccc2c3c(cccc13)COC2- InChIKey
MQYXPOXQUVGZLI-UHFFFAOYSA-N- Molecular formula
- C12H9BrO
- Average molar mass
- 249.1 g/mol
Names & identifiers
- Preferred name
- 6-bromo-1H,3H-naphtho[1,8-cd]pyran
- IUPAC
- 8-bromo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene
Names & synonyms
SCHEMBL5090657MQYXPOXQUVGZLI-UHFFFAOYSA-N6-bromo-1H,3H-naphtho[1,8-cd]pyran
Database identifiers
- PubChem CID
- 69307283
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Related reactions
3 records
Compound notes
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