| CAS Number | 731016-02-7 |
| Catalog Number | AG01FPKO(AGN-PC-0D4U7L) |
| Chemical Name | 5-(N-tert-butylsulfamoyl)-2-methoxyphenylboronic acid |
| IUPAC Name | [5-(tert-butylsulfamoyl)-2-methoxyphenyl]boronic acid |
| InChI | InChI=1S/C11H18BNO5S/c1-11(2,3)13-19(16,17)8-5-6-10(18-4)9(7-8)12(14)15/h5-7,13-15H,1-4H3 |
| InChI Key | CFJIYYOPBLWGFP-UHFFFAOYSA-N |
| MDL Number | MFCD20275287 |
| Molecular Formula | C11H18BNO5S |
| Molecular Weight | 287.1403 |
| SMILES | S(=O)(=O)(NC(C)(C)C)c1cc(B(O)O)c(cc1)OC |
| Synonyms | 731016-02-7,
(5-(N-(tert-Butyl)sulfamoyl)-2-methoxyphenyl)boronic acid,
[5-(tert-butylsulfamoyl)-2-methoxyphenyl]boronic acid,
SCHEMBL4879136,
CFJIYYOPBLWGFP-UHFFFAOYSA-N,
ZINC202627295,
AS-69265,
2-methoxy-5-tert-butylsulfamoylphenylboronic acid,
5-(N-tert-Butylsulfamoyl)-2-methoxyphenylboronic acid,
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| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.099874g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.15g/mol |
| Monoisotopic Mass | 287.099874g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 104Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number