| CAS Number | 870300-76-8 |
| Catalog Number | AG00IEBQ(AGN-PC-08XZXI) |
| Chemical Name | Carbamic acid, hydroxy[(phenylsulfonyl)methyl]-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-(benzenesulfonylmethyl)-N-hydroxycarbamate |
| InChI | InChI=1S/C12H17NO5S/c1-12(2,3)18-11(14)13(15)9-19(16,17)10-7-5-4-6-8-10/h4-8,15H,9H2,1-3H3 |
| InChI Key | DMLPXBUBDIDOGJ-UHFFFAOYSA-N |
| MDL Number | MFCD11707047 |
| Molecular Formula | C12H17NO5S |
| Molecular Weight | 287.3321 |
| SMILES | CC(C)(C)OC(=O)N(CS(=O)(=O)C1=CC=CC=C1)O |
| Synonyms | 870300-76-8,
N-Boc-N-(phenylsulfonylmethyl)-hydroxyamine,
N-Boc-N-(Phenylsulfonylmethyl)-hydroxylamine,
tert-Butyl Hydroxy((phenylsulfonyl)methyl)carbamate,
MFCD11707047,
ZINC44137831,
AKOS026670810,
AS-37151,
tert-Butyl hydroxy(phenylsulfonylmethyl)carbamate,
Phenylsulfonylmethylhydroxycarbamic acid tert-butyl ester,
tert-butyl N-[(benzenesulfonyl)methyl]-N-hydroxycarbamate,
Carbamic acid, hydroxy[(phenylsulfonyl)methyl]-, 1,1-dimethylethyl ester,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.33g/mol |
| Monoisotopic Mass | 287.083g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 92.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number