| CAS Number | 1381944-27-9 |
| Catalog Number | AG001861(AGN-PC-0WA69T) |
| Chemical Name | 2-Bromo-6-(4-BOC-piperazino)benzaldehyde |
| IUPAC Name | tert-butyl 4-(3-bromo-2-formylphenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C16H21BrN2O3/c1-16(2,3)22-15(21)19-9-7-18(8-10-19)14-6-4-5-13(17)12(14)11-20/h4-6,11H,7-10H2,1-3H3 |
| InChI Key | NPRGNLAZNZFAKI-UHFFFAOYSA-N |
| MDL Number | MFCD22375104 |
| Molecular Formula | C16H21BrN2O3 |
| Molecular Weight | 369.2535 |
| SMILES | O=Cc1c(Br)cccc1N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 1381944-27-9,
2-Bromo-6-(4-BOC-piperazino)benzaldehyde,
tert-Butyl 4-(3-bromo-2-formylphenyl)piperazine-1-carboxylate,
tert-Butyl 4-(3-bromo-2-formylphenyl)-piperazine-1-carboxylate,
ACMC-209cfm,
CTK8B0700,
DTXSID20743023,
ANW-20384,
MFCD22375104,
ZINC85477276,
AKOS024258182,
AJ-127829,
AX8283931,
TC-109129,
V2804,
B-8747,
1-Piperazinecarboxylic acid, 4-(3-bromo-2-formylphenyl)-, 1,1-dimethylethyl ester,
C16H21BrN2O3,
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| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 368.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 369.259g/mol |
| Monoisotopic Mass | 368.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number