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Chemical structure of 4-(Neopentyloxysulfonyl)phenylboronic Acid

GC42319

4-(Neopentyloxysulfonyl)phenylboronic Acid

Also known as [4-(2,2-dimethylpropoxysulfonyl)phenyl]boronic acid

4-(Neopentyloxysulfonyl)phenylboronic acid is a monosulfonic acid that has been used as a building block in the synthesis of water-soluble dibenzothiophene (DBT) and dibenzothiophene S-oxide (DBTO) derivatives

ChemicalCAS957060-74-1MW272.1FormulaC11H17BO5S
CAS number
957060-74-1
Molecular weight
272.1
Formula
C11H17BO5S
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,Ethanol： 30 mg/ml,Ethanol：PBS (pH 7·2)(1：2)： 0·3 mg/ml
InChIKey
HDSWCPUGAFITCT-UHFFFAOYSA-N
Catalogue number
GC42319
Brand
GLPBIO
Computed properties PubChem CID 44119175 · TPSA 92.2 Ų · H-bond donors 2 · H-bond acceptors 5
TPSA
92.2 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
18

SMILES B(C1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)C)(O)O

Computed descriptors from PubChem (CID 44119175), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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