| CAS Number | 460094-96-6 |
| Catalog Number | AG006YC5(AGN-PC-02YSWG) |
| Chemical Name | 1-(4-BOC-Piperazinomethyl)-2-bromo-4-fluorobenzene |
| IUPAC Name | tert-butyl 4-[(2-bromo-4-fluorophenyl)methyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C16H22BrFN2O2/c1-16(2,3)22-15(21)20-8-6-19(7-9-20)11-12-4-5-13(18)10-14(12)17/h4-5,10H,6-9,11H2,1-3H3 |
| InChI Key | FMBAGTCXKXRCMU-UHFFFAOYSA-N |
| MDL Number | MFCD20441935 |
| Molecular Formula | C16H22BrFN2O2 |
| Molecular Weight | 373.2605 |
| SMILES | Fc1ccc(c(c1)Br)CN1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 460094-96-6,
1-(4-BOC-Piperazinomethyl)-2-bromo-4-fluorobenzene,
tert-Butyl 4-(2-bromo-4-fluorobenzyl)piperazine-1-carboxylate,
tert-butyl 4-[(2-bromo-4-fluorophenyl)methyl]piperazine-1-carboxylate,
ACMC-209k5o,
SCHEMBL14456695,
CTK8B1718,
DTXSID20609630,
ANW-30394,
MFCD20441935,
ZINC74929913,
AKOS006853013,
AM86987,
AJ-121352,
AX8228939,
TC-119139,
ST24025910,
V6049,
I01-11282,
C16H22BrFN2O2,
tert-Butyl4-(2-bromo-4-fluorobenzyl)piperazine-1-carboxylate,
|
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number