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2-(diethylsulfamoyl)phenylboronic acid

2-(diethylsulfamoyl)phenylboronic acid

CAS: 957061-16-4

Formula: C10H16BNO4S

SMILES: CCN(CC)S(=O)(=O)C1=CC=CC=C1B(O)O

IUPAC: [2-(diethylsulfamoyl)phenyl]boronic acid

InChI: InChI=1S/C10H16BNO4S/c1-3-12(4-2)17(15,16)10-8-6-5-7-9(10)11(13)14/h5-8,13-14H,3-4H2,1-2H3

Composition: C (46.72%), H (6.27%), B (4.20%), N (5.45%), O (24.89%), S (12.47%)

Molar Mass: 257.11

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 257.089309
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey DJGWUWODZFKVIY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.05
Topological Polar Surface Area 77.84
Polarizability 26.2
Ring Count 1
Rotatable Bond Count 4

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