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5-(diethylsulfamoyl)-2-methoxyphenylboronic acid

5-(diethylsulfamoyl)-2-methoxyphenylboronic acid

CAS: 1704095-35-1

Formula: C11H18BNO5S

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

IUPAC: [5-(diethylsulfamoyl)-2-methoxyphenyl]boronic acid

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