| CAS Number | 66204-30-6 |
| Catalog Number | AG019NA8(AGN-PC-00UY17) |
| Chemical Name | 1-(5-Bromo-2-furoyl)piperazine |
| IUPAC Name | (5-bromofuran-2-yl)-piperazin-1-ylmethanone |
| InChI | InChI=1S/C9H11BrN2O2/c10-8-2-1-7(14-8)9(13)12-5-3-11-4-6-12/h1-2,11H,3-6H2 |
| InChI Key | UADOQGQGJDYASH-UHFFFAOYSA-N |
| MDL Number | MFCD08444697 |
| Molecular Formula | C9H11BrN2O2 |
| Molecular Weight | 259.0998 |
| SMILES | BrC1OC(C(N2CCNCC2)=O)=CC=1 |
| Synonyms | 1-(5-bromofuran-2-carbonyl)piperazine,
66204-30-6,
1-(5-bromo-2-furoyl)piperazine,
(5-bromofuran-2-yl)(piperazin-1-yl)methanone,
AC1Q24Z9,
SCHEMBL6599669,
CTK1I0664,
DTXSID50585498,
ZINC19256931,
AKOS000151193,
MCULE-2537305622,
NE58907,
1-[(5-bromofuran-2-yl)carbonyl]piperazine,
EN300-39801,
Piperazine, 1-[(5-bromo-2-furanyl)carbonyl]-,
(5-bromofuran-2-yl)-piperazin-1-ylmethanone,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.103g/mol |
| Monoisotopic Mass | 258g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number