| CAS Number | 1373233-18-1 |
| Catalog Number | AG00135G(AGN-PC-0WAF39) |
| Chemical Name | t-Butyl N-[3-(ethanesulfonyl)phenyl]carbamate |
| IUPAC Name | tert-butyl N-(3-ethylsulfonylphenyl)carbamate |
| InChI | InChI=1S/C13H19NO4S/c1-5-19(16,17)11-8-6-7-10(9-11)14-12(15)18-13(2,3)4/h6-9H,5H2,1-4H3,(H,14,15) |
| InChI Key | WWXCMTVTEXQBDY-UHFFFAOYSA-N |
| MDL Number | MFCD22192554 |
| Molecular Formula | C13H19NO4S |
| Molecular Weight | 285.3593 |
| SMILES | CCS(=O)(=O)c1cccc(c1)NC(=O)OC(C)(C)C |
| Synonyms | t-Butyl N-[3-(ethanesulfonyl)phenyl]carbamate,
1373233-18-1,
ACMC-209cc2,
tert-Butyl [3-(ethanesulfonyl)phenyl]carbamate,
CTK8B0624,
DTXSID70742960,
ANW-20256,
MFCD22192554,
ZINC85477177,
AKOS026673054,
TC-109001,
V2712,
K-4418,
Carbamic acid, N-[3-(ethylsulfonyl)phenyl]-, 1,1-dimethylethyl ester,
C13H19NO4S,
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| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.358g/mol |
| Monoisotopic Mass | 285.103g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number