| CAS Number | 2177258-93-2 |
| Catalog Number | AG01FLF8(AGN-PC-3H4B57) |
| Chemical Name | tert-butyl (2-methoxy-4-(methylsulfonyl)phenyl)carbamate |
| IUPAC Name | tert-butyl N-(2-methoxy-4-methylsulfonylphenyl)carbamate |
| InChI | InChI=1S/C13H19NO5S/c1-13(2,3)19-12(15)14-10-7-6-9(20(5,16)17)8-11(10)18-4/h6-8H,1-5H3,(H,14,15) |
| InChI Key | ATVYDMWDGZCRJI-UHFFFAOYSA-N |
| MDL Number | MFCD31652389 |
| Molecular Formula | C13H19NO5S |
| Molecular Weight | 301.3587 |
| SMILES | COc1cc(ccc1NC(=O)OC(C)(C)C)S(=O)(=O)C |
| Synonyms | tert-Butyl (2-methoxy-4-(methylsulfonyl)phenyl)carbamate,
CS-0080239,
2177258-93-2,
|
| Complexity | 435 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.098394g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.36g/mol |
| Monoisotopic Mass | 301.098394g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 90.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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