Basic information
- CAS
118326-90-2- Standard SMILES
Brc1ccc2c(c1)C=C[C@@H]1CCCC[C@@H]21- InChIKey
JYZYMYQSKZTOAC-GXFFZTMASA-N- Molecular formula
- C14H15Br
- Average molar mass
- 263.17 g/mol
- Monoisotopic mass
- 262.03571
Names & identifiers
- Preferred name
- 7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene
- IUPAC
- (4aR,10aS)-7-bromo-1,2,3,4,4a,10a-hexahydrophenanthrene
Names & synonyms
7-Bromo-trans-1,2,3,4,4a,10a-hexahydrophenanthrene118326-90-20W670CB1QN7-Bromo-1,2,3,4,4a,10a-hexahydrophenanthrene, trans-CCRIS 7436UNII-0W670CB1QNDTXSID90922661(4aR,10aS)-7-bromo-1,2,3,4,4a,10a-hexahydrophenanthrene7-bromo-1,2,3,4,4a,10a-hexahydrophenanthreneQ27237303trans-7-bromo-1,2,3,4,4a,10a-hexahydrophenanthrenePhenanthrene, 7-bromo-1,2,3,4,4a,10a-hexahydro-, trans-
Database identifiers
- CAS
118326-90-2- PubChem CID
- 147240
- DTXSID
DTXSID90922661- UNII
- 0W670CB1QN
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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