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3-(diethylsulfamoyl)-4-methoxyphenylboronic acid

3-(diethylsulfamoyl)-4-methoxyphenylboronic acid

CAS: 1003298-86-9

Formula: C11H18BNO5S

SMILES: CCN(CC)S(=O)(=O)C1=C(OC)C=CC(=C1)B(O)O

IUPAC: [3-(diethylsulfamoyl)-4-methoxyphenyl]boronic acid

InChI: InChI=1S/C11H18BNO5S/c1-4-13(5-2)19(16,17)11-8-9(12(14)15)6-7-10(11)18-3/h6-8,14-15H,4-5H2,1-3H3

Composition: C (46.01%), H (6.32%), B (3.76%), N (4.88%), O (27.86%), S (11.17%)

Molar Mass: 287.14

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 287.099874
Formal Charge 0
FSP3 0.45
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey URMKPGLOFMAUIZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.52
Topological Polar Surface Area 87.07
Polarizability 28.75
Ring Count 1
Rotatable Bond Count 5

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