| CAS Number | 1355247-99-2 |
| Catalog Number | AG007LDM(AGN-PC-0WAA1A) |
| Chemical Name | 4-Bromo-2-(4-BOC-piperazinomethyl)-1-fluorobenzene |
| IUPAC Name | tert-butyl 4-[(5-bromo-2-fluorophenyl)methyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C16H22BrFN2O2/c1-16(2,3)22-15(21)20-8-6-19(7-9-20)11-12-10-13(17)4-5-14(12)18/h4-5,10H,6-9,11H2,1-3H3 |
| InChI Key | QCNUIUCTFIJPDH-UHFFFAOYSA-N |
| MDL Number | MFCD21333094 |
| Molecular Formula | C16H22BrFN2O2 |
| Molecular Weight | 373.2605 |
| SMILES | CC(OC(N1CCN(CC2=C(F)C=CC(Br)=C2)CC1)=O)(C)C |
| Synonyms | 1355247-99-2,
4-Bromo-2-(4-BOC-piperazinomethyl)-1-fluorobenzene,
tert-butyl 4-(5-bromo-2-fluorobenzyl)piperazine-1-carboxylate,
tert-butyl 4-[(5-bromo-2-fluorophenyl)methyl]piperazine-1-carboxylate,
ACMC-209c31,
CTK8B0426,
DTXSID70742804,
ANW-19931,
MFCD21333094,
ZINC65532516,
AKOS025286446,
AM86555,
TC-108676,
V2480,
C16H22BrFN2O2,
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| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 372.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 373.266g/mol |
| Monoisotopic Mass | 372.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number