Basic information
- CAS
85955-77-7- Standard SMILES
O=C(O[C@H]1C[C@@]2(Br)c3ccccc3-c3cccc(c32)[C@@H]1OC(=O)c1ccccc1)c1ccccc1- InChIKey
CFBUKFHQPDFQTA-OGXMWTIWSA-N- Molecular formula
- C30H21BrO4
- Average molar mass
- 525.4 g/mol
- Monoisotopic mass
- 524.06232
Names & identifiers
- Preferred name
- [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate
- IUPAC
- [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate
Names & synonyms
85955-77-72,3-Fluoranthenediol, 10b-bromo-1,2,3,10b-tetrahydro-, dibenzoate, (2alpha,3beta,10bbeta)-
Database identifiers
- CAS
85955-77-7- PubChem CID
- 190067
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 787
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…