3-(Methylsulfonamido)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl methanesulfonate
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Basic information
- Standard SMILES
CC1(C)OB(c2cc(NS(C)(=O)=O)cc(OS(C)(=O)=O)c2)OC1(C)C- InChIKey
QUUYHWCSSUCYCM-UHFFFAOYSA-N- Molecular formula
- C14H22BNO7S2
- Average molar mass
- 391.3 g/mol
Names & identifiers
- Preferred name
- 3-(Methylsulfonamido)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl methanesulfonate
- IUPAC
- [3-(methanesulfonamido)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] methanesulfonate
Names & synonyms
SCHEMBL15650369QUUYHWCSSUCYCM-UHFFFAOYSA-N3-(methylsulfonamido)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl methanesulfonate
Database identifiers
- PubChem CID
- 90103545
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 678
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Related reactions
2 records
Compound notes
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