Basic information
- CAS
118326-92-4- Standard SMILES
Brc1ccc2c(c1)[C@@H]1O[C@@H]1[C@H]1CCCC[C@H]21- InChIKey
MIDVMZDXCQOCLI-MWQHPAIMSA-N- Molecular formula
- C14H15BrO
- Average molar mass
- 279.17 g/mol
- Monoisotopic mass
- 278.03063
Names & identifiers
- Preferred name
- (4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
- IUPAC
- (1aR,1bS,5aS,9bS)-8-bromo-1a,1b,2,3,4,5,5a,9b-octahydrophenanthro[9,10-b]oxirene
Names & synonyms
118326-92-4(4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene(1aR,1bS,5aS,9bS)-8-bromo-1a,1b,2,3,4,5,5a,9b-octahydrophenanthro[9,10-b]oxireneDTXSID509226628-bromo-1a,1b,2,3,4,5,5a,9b-octahydrophenanthro[9,10-b]oxirene
Database identifiers
- CAS
118326-92-4- PubChem CID
- 147241
- DTXSID
DTXSID50922662
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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