Basic information
- CAS
207596-64-3- Standard SMILES
Cc1cc2c3c(cccc3c1Br)C(=O)OC2=O- InChIKey
UUNBJECKAMRUSE-UHFFFAOYSA-N- Molecular formula
- C13H7BrO3
- Average molar mass
- 291.1 g/mol
- Monoisotopic mass
- 289.95786
Names & identifiers
- Preferred name
- 6-Bromo-5-methyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
- IUPAC
- 8-bromo-7-methyl-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
Names & synonyms
SCHEMBL77095756-Bromo-5-methyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dioneDTXSID001213905207596-64-3
Database identifiers
- CAS
207596-64-3- PubChem CID
- 54372976
- DTXSID
DTXSID001213905
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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