(3-Fluoro-4-(methylcarbamoyl)phenyl)boronic acid
Impurity reference standard
- CAS number
- 849833-86-9
- InChIKey
- IVSXSBGNMOZTJR-UHFFFAOYSA-N
- Molecular formula
- C8H9BFNO3
- Molecular weight
- 196.97
- Exact mass
- 197.0660 Da
- Purity
- 95%+
- Storage
- 2℃ ~ 8℃
About (3-Fluoro-4-(methylcarbamoyl)phenyl)boronic acid
(3-Fluoro-4-(methylcarbamoyl)phenyl)boronic acid is supplied as an analytical reference standard. It is registered under CAS number 849833-86-9.
The compound is characterised by its molecular formula C8H9BFNO3 and a molecular weight of 196.97, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 197.0660 Da, a calculated LogP of -1.13, a topological polar surface area of 69.56 Ų. It presents 3 hydrogen-bond donors and 3 acceptors. 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)
- -1.13
- Topological polar surface area
- 69.56 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Rings
- 1
- Elemental composition
- B 5.49% · C 48.78% · F 9.64% · H 4.61% · N 7.11% · O 24.37%
Frequently asked questions
What purity does (3-Fluoro-4-(methylcarbamoyl)phenyl)boronic acid ship at?
(3-Fluoro-4-(methylcarbamoyl)phenyl)boronic acid is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does (3-Fluoro-4-(methylcarbamoyl)phenyl)boronic acid 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 (3-Fluoro-4-(methylcarbamoyl)phenyl)boronic acid uniquely identified?
The InChIKey IVSXSBGNMOZTJR-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 (3-Fluoro-4-(methylcarbamoyl)phenyl)boronic acid?
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 (3-Fluoro-4-(methylcarbamoyl)phenyl)boronic acid?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should (3-Fluoro-4-(methylcarbamoyl)phenyl)boronic acid 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.