| CAS Number | 897445-35-1 |
| Catalog Number | AG00IFTB(AGN-PC-0WCYUO) |
| Chemical Name | tert-Butyl 4-(4-chlorobenzoyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(4-chlorobenzoyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C16H21ClN2O3/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 | ZWIWAMXFONGDIO-UHFFFAOYSA-N |
| MDL Number | MFCD16620800 |
| Molecular Formula | C16H21ClN2O3 |
| Molecular Weight | 324.8025 |
| SMILES | CC(OC(N1CCN(C(C2=CC=C(Cl)C=C2)=O)CC1)=O)(C)C |
| Synonyms | tert-Butyl 4-(4-chlorobenzoyl)piperazine-1-carboxylate,
897445-35-1,
ZWIWAMXFONGDIO-UHFFFAOYSA-N,
SCHEMBL1256025,
KS-00003IR5,
HTS000783,
MFCD16620800,
STL081054,
ZINC41115362,
AKOS005712079,
BS-5828,
MCULE-8899566532,
4-(4-Chloro-benzoyl)-piperazine-1-carboxylic acid tert-butyl ester,
tert-butyl 4-[(4-chlorophenyl)carbonyl]piperazine-1-carboxylate,
C16H21ClN2O3,
tert-butyl 4-(4-chlorocyclohexa-1,2,3,5-tetraene-1-carbonyl)piperazine-1-carboxylate,
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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 | 324.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.805g/mol |
| Monoisotopic Mass | 324.124g/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
Lot Number