| CAS Number | 442199-16-8 |
| Catalog Number | AG00DIL2(AGN-PC-0RSCI3) |
| Chemical Name | tert-Butyl 4-((6-chloropyridazin-3-yl)oxy)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(6-chloropyridazin-3-yl)oxypiperidine-1-carboxylate |
| InChI | InChI=1S/C14H20ClN3O3/c1-14(2,3)21-13(19)18-8-6-10(7-9-18)20-12-5-4-11(15)16-17-12/h4-5,10H,6-9H2,1-3H3 |
| InChI Key | HSMDYETYICNJOH-UHFFFAOYSA-N |
| MDL Number | MFCD09607610 |
| Molecular Formula | C14H20ClN3O3 |
| Molecular Weight | 313.7799 |
| SMILES | CC(OC(N1CCC(OC2=NN=C(Cl)C=C2)CC1)=O)(C)C |
| Synonyms | 442199-16-8,
4-(6-Chloro-pyridazin-3-yloxy)-piperidine-1-carboxylic acid tert-butyl ester,
tert-butyl 4-[(6-chloropyridazin-3-yl)oxy]piperidine-1-carboxylate,
tert-Butyl 4-((6-chloropyridazin-3-yl)oxy)piperidine-1-carboxylate,
SCHEMBL5266887,
DTXSID50619848,
tert-butyl 4-(6-chloropyridazin-3-yloxy)piperidine-1-carboxylate,
SBB075324,
ZINC40434760,
AKOS015941153,
AJ-101958,
FT-0746081,
F2145-0120,
tert-butyl 4-(6-chloropyridazin-3-yloxy)piperidinecarboxylate,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.782g/mol |
| Monoisotopic Mass | 313.119g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number