4-(Toluene-4-sulfonylamino)phenylboronic acid, pinacol ester

• Catalog Number: ACM674776546-1
• Product Name: 4-(Toluene-4-sulfonylamino)phenylboronic acid, pinacol ester
• CAS: 674776-54-6
• Category: Boronic Esters
• IUPAC Name: 4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide
• Molecular Weight: 373.3g/mol
• Molecular Formula: C19H24BNO4S
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C
• InChI: InChI=1S/C19H24BNO4S/c1-14-6-12-17(13-7-14)26(22,23)21-16-10-8-15(9-11-16)20-24-18(2,3)19(4,5)25-20/h6-13,21H,1-5H3
• InChI Key: RLVWYHYMSBRBKK-UHFFFAOYSA-N
• Complexity: 569
• Covalently-Bonded Unit Count: 1
• Exact Mass: 373.15191g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 1
• Heavy Atom Count: 26
• Monoisotopic Mass: 373.15191g/mol
• Rotatable Bond Count: 4