| CAS Number | 1613193-36-4 |
| Catalog Number | AG001SC5(AGN-PC-0WG4AG) |
| Chemical Name | tert-butyl 1-(3-bromo-5-fluoropyridin-4-yl)piperidine-4-carboxylate |
| IUPAC Name | tert-butyl 1-(3-bromo-5-fluoropyridin-4-yl)piperidine-4-carboxylate |
| InChI | InChI=1S/C15H20BrFN2O2/c1-15(2,3)21-14(20)10-4-6-19(7-5-10)13-11(16)8-18-9-12(13)17/h8-10H,4-7H2,1-3H3 |
| InChI Key | UFWQUZCOKMFROO-UHFFFAOYSA-N |
| MDL Number | MFCD29053446 |
| Molecular Formula | C15H20BrFN2O2 |
| Molecular Weight | 359.2339 |
| SMILES | CC(C)(C)OC(=O)C1CCN(CC1)c1c(F)cncc1Br |
| Synonyms | 1613193-36-4,
tert-butyl 1-(3-bromo-5-fluoropyridin-4-yl)piperidine-4-carboxylate,
tert-butyl 1-(3-bromo-5-fluoro-4-pyridyl)piperidine-4-carboxylate,
SCHEMBL15769828,
UFWQUZCOKMFROO-UHFFFAOYSA-N,
MFCD29053446,
ZINC144937178,
DA-43768,
TZ001262,
CS-0037247,
FT-0766546,
t-Butyl 1-(3-bromo-5-fluoropyridin-4-yl)piperidine-4-carboxylate,
4-Piperidinecarboxylic acid, 1-(3-bromo-5-fluoro-4-pyridinyl)-, 1,1-dimethylethyl ester,
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| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 359.239g/mol |
| Monoisotopic Mass | 358.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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