| CAS Number | 1373232-46-2 |
| Catalog Number | AG00134Q(AGN-PC-0WAF38) |
| Chemical Name | t-Butyl N-[3-(butane-1-sulfonyl)phenyl]carbamate |
| IUPAC Name | tert-butyl N-(3-butylsulfonylphenyl)carbamate |
| InChI | InChI=1S/C15H23NO4S/c1-5-6-10-21(18,19)13-9-7-8-12(11-13)16-14(17)20-15(2,3)4/h7-9,11H,5-6,10H2,1-4H3,(H,16,17) |
| InChI Key | AHKLAJXPQJZMLD-UHFFFAOYSA-N |
| MDL Number | MFCD22192556 |
| Molecular Formula | C15H23NO4S |
| Molecular Weight | 313.4124 |
| SMILES | CCCCS(=O)(=O)c1cccc(c1)NC(=O)OC(C)(C)C |
| Synonyms | t-Butyl N-[3-(butane-1-sulfonyl)phenyl]carbamate,
1373232-46-2,
ACMC-209cbg,
tert-Butyl [3-(butane-1-sulfonyl)phenyl]carbamate,
C15H23NO4S,
CTK8B0602,
DTXSID00742938,
ANW-20234,
MFCD22192556,
ZINC85477146,
TC-108979,
V2685,
K-4414,
Carbamic acid, N-[3-(butylsulfonyl)phenyl]-, 1,1-dimethylethyl ester,
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| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.412g/mol |
| Monoisotopic Mass | 313.135g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number