| CAS Number | 52533-64-9 |
| Catalog Number | AG00E2NA(AGN-PC-02R6H1) |
| Chemical Name | 5-Bromo-N-methanesulfonylpentanamide |
| IUPAC Name | 5-bromo-N-methylsulfonylpentanamide |
| InChI | InChI=1S/C6H12BrNO3S/c1-12(10,11)8-6(9)4-2-3-5-7/h2-5H2,1H3,(H,8,9) |
| InChI Key | LLHBJNWMKOAJDD-UHFFFAOYSA-N |
| MDL Number | MFCD25964182 |
| Molecular Formula | C6H12BrNO3S |
| Molecular Weight | 258.1334 |
| SMILES | CS(NC(CCCCBr)=O)(=O)=O |
| Synonyms | 52533-64-9,
5-BROMO-N-METHANESULFONYLPENTANAMIDE,
N-(-BROMOVALERYL)METHANESULFONAMIDE,
N-(Methansulfonyl)-5-brompentansaeureamid,
5-bromo-N-(methylsulfonyl)pentanamide,
SCHEMBL1347783,
CTK4J6055,
DTXSID40604768,
LLHBJNWMKOAJDD-UHFFFAOYSA-N,
N-methanesulfonyl-5-bromovaleramide,
ZINC59714138,
5-Bromo-N-(methanesulfonyl)pentanamide,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.13g/mol |
| Monoisotopic Mass | 256.972g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number