| CAS Number | 1096711-96-4 |
| Catalog Number | AG01BUA1 |
| Chemical Name | tert-butyl N-(4-methanesulfonylphenyl)carbamate |
| IUPAC Name | tert-butyl N-(4-methylsulfonylphenyl)carbamate |
| InChI | InChI=1S/C12H17NO4S/c1-12(2,3)17-11(14)13-9-5-7-10(8-6-9)18(4,15)16/h5-8H,1-4H3,(H,13,14) |
| InChI Key | YUSSGKRNZSYJPR-UHFFFAOYSA-N |
| MDL Number | MFCD21170351 |
| Molecular Formula | C12H17NO4S |
| Molecular Weight | 271.3327 |
| SMILES | CC(OC(NC1=CC=C(S(C)(=O)=O)C=C1)=O)(C)C |
| Synonyms | 1096711-96-4,
tert-butyl (4-(methylsulfonyl)phenyl)carbamate,
(4-methanesulfonyl-phenyl)carbamic acid tert-butyl ester,
tert-butyl N-(4-methanesulfonylphenyl)carbamate,
SCHEMBL2192110,
YUSSGKRNZSYJPR-UHFFFAOYSA-N,
ZINC83502181,
AKOS014476309,
Z1532386814,
|
| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.331g/mol |
| Monoisotopic Mass | 271.088g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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