Basic information
- CAS
7495-57-0- Standard SMILES
CCOC(=O)OC1CC2CC(OC(=O)OCC)c3cccc(Br)c3C2c2ccccc21- InChIKey
XGZIXEADWJOTIM-UHFFFAOYSA-N- Molecular formula
- C24H25BrO6
- Average molar mass
- 489.4 g/mol
- Monoisotopic mass
- 488.08345
Names & identifiers
- Preferred name
- (1-Bromo-5-ethoxycarbonyloxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthren-8-yl) ethyl carbonate
- IUPAC
- (1-bromo-5-ethoxycarbonyloxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthren-8-yl) ethyl carbonate
Names & synonyms
7495-57-0NSC407730(1-bromo-5-ethoxycarbonyloxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthren-8-yl) ethyl carbonateDTXSID60324810NSC-4077301-Bromo-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene-5,8-diyl diethyl biscarbonate
Database identifiers
- CAS
7495-57-0- PubChem CID
- 348443
- DTXSID
DTXSID60324810
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 642
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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