Basic information
- CAS
1402227-62-6- Standard SMILES
COc1cccc(-c2ncc(B3OC(C)(C)C(C)(C)O3)s2)c1- InChIKey
VXGORPXBJLBGKS-UHFFFAOYSA-N- Molecular formula
- C16H20BNO3S
- Average molar mass
- 317.2 g/mol
- Monoisotopic mass
- 317.1256948
Names & identifiers
- Preferred name
- 2-(3-Methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazole
- IUPAC
- 2-(3-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
Names & synonyms
1402227-62-62-(3-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazole2-(3-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazoleMFCD118696952-(3-Methoxyphenyl)thiazole-5-boronic acid pinacol esterDTXSID801138076AKOS015947361CS-31844Thiazole, 2-(3-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Database identifiers
- CAS
1402227-62-6- PubChem CID
- 45786309
- DTXSID
DTXSID801138076
Properties
Computed structural properties
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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