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3-[tert-butyl(methyl)sulfamoyl]phenylboronic acid

3-[tert-butyl(methyl)sulfamoyl]phenylboronic acid

CAS: 1217501-22-8

Formula: C11H18BNO4S

SMILES: CN(C(C)(C)C)S(=O)(=O)C1=CC(=CC=C1)B(O)O

IUPAC: {3-[tert-butyl(methyl)sulfamoyl]phenyl}boronic acid

InChI: InChI=1S/C11H18BNO4S/c1-11(2,3)13(4)18(16,17)10-7-5-6-9(8-10)12(14)15/h5-8,14-15H,1-4H3

Composition: C (48.73%), H (6.69%), B (3.99%), N (5.17%), O (23.60%), S (11.82%)

Molar Mass: 271.14

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 271.104959
Formal Charge 0
FSP3 0.45
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey UNQUFVKIIUCSCR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.36
Topological Polar Surface Area 77.84
Polarizability 28.03
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <6 Days 1217501-22-8 $409.40-$1,061.45$409.40$1,061.45
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