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AA01894

1003298-86-9 | (3-(N,N-Diethylsulfamoyl)-4-methoxyphenyl)boronic acid

Packsize Purity Availability Price Discounted Price    Quantity
1g 95% In Stock US $314.00 $220.00 -   +

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Description
Catalog Number: AA01894
Chemical Name: (3-(N,N-Diethylsulfamoyl)-4-methoxyphenyl)boronic acid
CAS Number: 1003298-86-9
Molecular Formula: C11H18BNO5S
Molecular Weight: 287.1403
MDL Number: MFCD08056367
IUPAC Name: [3-(diethylsulfamoyl)-4-methoxyphenyl]boronic acid
InChl: 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
InChl Key: URMKPGLOFMAUIZ-UHFFFAOYSA-N
SMILES: CCN(S(=O)(=O)c1cc(ccc1OC)B(O)O)CC

 

Computed Properties
Complexity: 366  
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 287.1g/mol
Formal Charge: 0
Heavy Atom Count: 19  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0
Molecular Weight: 287.137g/mol
Monoisotopic Mass: 287.1g/mol
Rotatable Bond Count: 6  
Topological Polar Surface Area: 95.4A^2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0

 

 

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