| CAS Number | 937014-80-7 |
| Catalog Number | AG00GUWR(AGN-PC-0WA95O) |
| Chemical Name | 4-Boc-1-[(3-bromobenzene)sulfonyl]piperazine |
| IUPAC Name | tert-butyl 4-(3-bromophenyl)sulfonylpiperazine-1-carboxylate |
| InChI | InChI=1S/C15H21BrN2O4S/c1-15(2,3)22-14(19)17-7-9-18(10-8-17)23(20,21)13-6-4-5-12(16)11-13/h4-6,11H,7-10H2,1-3H3 |
| InChI Key | OCPBBZQADAOTDT-UHFFFAOYSA-N |
| MDL Number | MFCD12024910 |
| Molecular Formula | C15H21BrN2O4S |
| Molecular Weight | 405.3072 |
| SMILES | O=C(N1CCN(S(=O)(C2=CC=CC(Br)=C2)=O)CC1)OC(C)(C)C |
| Synonyms | 937014-80-7,
tert-Butyl 4-((3-bromophenyl)sulfonyl)piperazine-1-carboxylate,
4-(3-BROMO-BENZENESULFONYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,
4-Boc-1-[(3-Bromobenzene)sulfonyl]piperazine,
tert-butyl 4-(3-bromophenylsulfonyl)piperazine-1-carboxylate,
SCHEMBL2378015,
DTXSID80670684,
OCPBBZQADAOTDT-UHFFFAOYSA-N,
MFCD12024910,
ZINC42750170,
AKOS008364134,
AM87457,
AJ-104715,
4CH-020168,
ST24049869,
C-2363,
tert-butyl 4-(3-bromophenyl)sulfonylpiperazine-1-carboxylate,
tert-Butyl 4-(3-bromobenzene-1-sulfonyl)piperazine-1-carboxylate,
tert-Butyl 4-[(3-bromophenyl)sulphonyl]piperazine-1-carboxylate,
TERT-BUTYL 4-(3-BROMOBENZENESULFONYL)PIPERAZINE-1-CARBOXYLATE,
|
| Complexity | 519 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 404.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 405.307g/mol |
| Monoisotopic Mass | 404.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number