| CAS Number | 1032825-28-7 |
| Catalog Number | AG01EHXH(AGN-PC-0H2R0O) |
| Chemical Name | [4-[[[2-(Methoxy)ethyl]amino]sulfonyl]phenyl]boronic acid |
| IUPAC Name | [4-(2-methoxyethylsulfamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C9H14BNO5S/c1-16-7-6-11-17(14,15)9-4-2-8(3-5-9)10(12)13/h2-5,11-13H,6-7H2,1H3 |
| InChI Key | PNNBBUKGGKVDKY-UHFFFAOYSA-N |
| MDL Number | MFCD25954564 |
| Molecular Formula | C9H14BNO5S |
| Molecular Weight | 259.0872 |
| SMILES | S(=O)(=O)(NCCOC)c1ccc(cc1)B(O)O |
| Synonyms | 1032825-28-7,
[4-({[2-(methoxy)ethyl]amino}sulfonyl)phenyl]boronic acid,
[4-[[[2-(Methoxy)ethyl]amino]sulfonyl]phenyl]boronic acid,
SCHEMBL385294,
PNNBBUKGGKVDKY-UHFFFAOYSA-N,
AS-55458,
{4-[(2-methoxyethyl)sulfamoyl]phenyl}boronic acid,
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| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.083g/mol |
| Monoisotopic Mass | 259.069g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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