Basic information
- CAS
40604-66-8- Standard SMILES
O=C1CC2C=CC1c1ccc(Br)cc12- InChIKey
MJGQYOROXYETFA-UHFFFAOYSA-N- Molecular formula
- C12H9BrO
- Average molar mass
- 249.1 g/mol
- Monoisotopic mass
- 247.98368
Names & identifiers
- Preferred name
- 7-Bromo-1,4-dihydro-1,4-ethanonaphthalen-9-one
- IUPAC
- 4-bromotricyclo[6.2.2.02,7]dodeca-2(7),3,5,11-tetraen-9-one
Names & synonyms
DTXSID6012473607-Bromo-1,4-dihydro-1,4-ethanonaphthalen-9-one40604-66-8
Database identifiers
- CAS
40604-66-8- PubChem CID
- 163774539
- DTXSID
DTXSID601247360
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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