2-(4-Fluorophenyl)thiazole-5-boronic acid pinacol ester
Basic information
- CAS
1402174-41-7- Standard SMILES
CC1(C)OB(c2cnc(-c3ccc(F)cc3)s2)OC1(C)C- InChIKey
JJZNNHOYKSRIFK-UHFFFAOYSA-N- Molecular formula
- C15H17BFNO2S
- Average molar mass
- 305.2 g/mol
- Monoisotopic mass
- 305.1057083
Names & identifiers
- Preferred name
- 2-(4-Fluorophenyl)thiazole-5-boronic acid pinacol ester
- IUPAC
- 2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
- English name
- 2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazole
- Molecular formula
- C15H17BFNO2S
- Molecular weight
- 305.18
Names & synonyms
1402174-41-72-(4-Fluorophenyl)thiazole-5-boronic acid pinacol ester2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazole2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazoleMFCD11869698SCHEMBL31273105DTXSID101140446AKOS015947316CS-31893Thiazole, 2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Database identifiers
- CAS
1402174-41-7- PubChem CID
- 45786306
- DTXSID
DTXSID101140446
Properties
Computed structural properties
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Boiling point
- 415.5 · 415.5±51.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 2.05 · 2.05±0.10(Predicted)
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Compound notes
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