| CAS Number | 867333-30-0 |
| Catalog Number | AG004NFW(AGN-PC-0V8DHL) |
| Chemical Name | 1,1-Dimethylethyl 4-(4-bromobenzoyl)-1-piperazinecarboxylate |
| IUPAC Name | tert-butyl 4-(4-bromobenzoyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C16H21BrN2O3/c1-16(2,3)22-15(21)19-10-8-18(9-11-19)14(20)12-4-6-13(17)7-5-12/h4-7H,8-11H2,1-3H3 |
| InChI Key | BKZRMPOYXDWHSH-UHFFFAOYSA-N |
| MDL Number | MFCD06797260 |
| Molecular Formula | C16H21BrN2O3 |
| Molecular Weight | 369.2535 |
| SMILES | CC(OC(N1CCN(C(C2=CC=C(Br)C=C2)=O)CC1)=O)(C)C |
| Synonyms | 867333-30-0,
tert-butyl 4-(4-bromobenzoyl)piperazine-1-carboxylate,
1-Boc-4-(4-bromobenzoyl)piperazine,
1-Piperazinecarboxylicacid, 4-(4-bromobenzoyl)-, 1,1-dimethylethyl ester,
4-(4-BROMO-BENZOYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,
SCHEMBL2928630,
CTK5F7156,
DTXSID70590807,
BKZRMPOYXDWHSH-UHFFFAOYSA-N,
MFCD06797260,
ZINC35323343,
QC-7807,
tert-butyl 4-[(4-bromophenyl)carbonyl]piperazine-1-carboxylate,
4- -PIPERAZINE-1-CARBOXYLICACIDTERT-BUTYLESTER,
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| Complexity | 406 |
| 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 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 369.259g/mol |
| Monoisotopic Mass | 368.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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