| CAS Number | 1346597-59-8 |
| Catalog Number | AG003RTL(AGN-PC-0WADWB) |
| Chemical Name | Methyl 4-(4-Boc-1-piperazinyl)-2-chlorobenzoate |
| IUPAC Name | tert-butyl 4-(3-chloro-4-methoxycarbonylphenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C17H23ClN2O4/c1-17(2,3)24-16(22)20-9-7-19(8-10-20)12-5-6-13(14(18)11-12)15(21)23-4/h5-6,11H,7-10H2,1-4H3 |
| InChI Key | SRWURPOERWMOOY-UHFFFAOYSA-N |
| MDL Number | MFCD20491418 |
| Molecular Formula | C17H23ClN2O4 |
| Molecular Weight | 354.8285 |
| SMILES | COC(=O)c1ccc(cc1Cl)N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | Methyl 4-(4-Boc-1-piperazinyl)-2-chlorobenzoate,
1346597-59-8,
tert-Butyl 4-(3-chloro-4-(methoxycarbonyl)phenyl)piperazine-1-carboxylate,
7046AJ,
MFCD20491418,
ZINC90513442,
AKOS022183974,
TRA0006334,
AS-31950,
SY017074,
AJ-128861,
AX8268861,
DB-019536,
TC-308504,
FT-0729076,
Z-4398,
MFCD20491418 (97+%),
C17H23ClN2O4,
17422-32-1,
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| Complexity | 458 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.831g/mol |
| Monoisotopic Mass | 354.135g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59.1A^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