| CAS Number | 874459-69-5 |
| Catalog Number | AG01DDII(AGN-PC-0WCSDK) |
| Chemical Name | (3-(N-(tert-butyl)sulfaMoyl)-4-Methoxyphenyl)boronic acid |
| IUPAC Name | [3-(tert-butylsulfamoyl)-4-methoxyphenyl]boronic acid |
| InChI | InChI=1S/C11H18BNO5S/c1-11(2,3)13-19(16,17)10-7-8(12(14)15)5-6-9(10)18-4/h5-7,13-15H,1-4H3 |
| InChI Key | LLWKYPQKXDZYMQ-UHFFFAOYSA-N |
| MDL Number | MFCD28400500 |
| Molecular Formula | C11H18BNO5S |
| Molecular Weight | 287.1403 |
| SMILES | COC1=CC=C(B(O)O)C=C1S(=O)(NC(C)(C)C)=O |
| Synonyms | (3-(N-(tert-butyl)sulfamoyl)-4-methoxyphenyl)boronic acid,
874459-69-5,
MFCD28400500,
AKOS025286910,
ZINC230550670,
AM87349,
N-tert-Butyl 5-borono-2-methoxybenzenesulfonamide,
(3-(N-(t-Butyl)sulfamoyl)-4-methoxyphenyl)boronic acid,
|
| Complexity | 387 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.137g/mol |
| Monoisotopic Mass | 287.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number