8-Fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one
Impurity reference standard
- CAS number
- 1408282-26-7
- InChIKey
- XXKDRTXIEZBWPZ-UHFFFAOYSA-N
- Molecular formula
- C11H9FN2O
- Molecular weight
- 204.20
- Exact mass
- 204.0699 Da
- Purity
- 95%+
- Storage
- 2℃-8℃
About 8-Fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one
8-Fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one is supplied as an analytical reference standard. It is registered under CAS number 1408282-26-7.
The compound is characterised by its molecular formula C11H9FN2O and a molecular weight of 204.20, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 204.0699 Da, a calculated LogP of 1.59, a topological polar surface area of 44.89 Ų. It presents 2 hydrogen-bond donors and 1 acceptor. These values are commonly used to anticipate chromatographic retention and to plan ionisation conditions during method development.
Each pack ships with a certificate of analysis reporting purity of 95%+ together with the supporting analytical data — HNMR, MS and HPLC or GC traces — so the material can be released straight into your own QC workflow. Recommended storage: 2℃-8℃.
Available from stock in milligram to gram quantities; larger or custom synthesis requirements are quoted on request.
Calculated properties
Derived from the two-dimensional structure above using RDKit. Computed values describe the parent structure and are provided as a reference for method development — they are not measured data.
- LogP (Crippen)
- 1.59
- Topological polar surface area
- 44.89 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Rings
- 3
- Elemental composition
- C 64.70% · F 9.30% · H 4.44% · N 13.72% · O 7.83%
Frequently asked questions
What purity does 8-Fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one ship at?
8-Fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does 8-Fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one come with a certificate of analysis?
Yes. Every pack ships with a certificate of analysis plus the supporting analytical data — HNMR, MS and HPLC or GC traces.
How is 8-Fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one uniquely identified?
The InChIKey XXKDRTXIEZBWPZ-UHFFFAOYSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for 8-Fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one?
Yes. The two-dimensional structure is drawn on this page from the SMILES record, and the SMILES or a molfile can be supplied on request.
What pack sizes are available for 8-Fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should 8-Fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one be stored?
Recommended storage: 2℃-8℃.
Need this standard, or a related one?
Send the compound name, CAS number or a structure file — we confirm availability, pack size and lead time, usually within one business day.