| CAS Number | 1820603-98-2 |
| Catalog Number | AG00I0G2 |
| Chemical Name | 2-(4-BOC-Piperazino)methyl-4-bromothiophene |
| IUPAC Name | tert-butyl 4-[(4-bromothiophen-2-yl)methyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C14H21BrN2O2S/c1-14(2,3)19-13(18)17-6-4-16(5-7-17)9-12-8-11(15)10-20-12/h8,10H,4-7,9H2,1-3H3 |
| InChI Key | JTWXKZULVKYAIL-UHFFFAOYSA-N |
| MDL Number | MFCD28369582 |
| Molecular Formula | C14H21BrN2O2S |
| Molecular Weight | 361.2977 |
| SMILES | O=C(N1CCN(CC1)Cc1scc(c1)Br)OC(C)(C)C |
| Synonyms | 1820603-98-2,
2-(4-BOC-Piperazino)methyl-4-bromothiophene,
tert-Butyl 4-((4-bromothiophen-2-yl)methyl)piperazine-1-carboxylate,
AKOS027353125,
ZINC217046281,
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| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.298g/mol |
| Monoisotopic Mass | 360.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number