| CAS Number | 856166-07-9 |
| Catalog Number | AG01EHEG(AGN-PC-0I5UI8) |
| Chemical Name | 4-[5-Bromo-3-(trifluoromethyl)pyridin-2-yl]morpholine |
| IUPAC Name | 4-[5-bromo-3-(trifluoromethyl)pyridin-2-yl]morpholine |
| InChI | InChI=1S/C10H10BrF3N2O/c11-7-5-8(10(12,13)14)9(15-6-7)16-1-3-17-4-2-16/h5-6H,1-4H2 |
| InChI Key | TZMAFVUGROWQGB-UHFFFAOYSA-N |
| MDL Number | MFCD21602844 |
| Molecular Formula | C10H10BrF3N2O |
| Molecular Weight | 311.0984 |
| SMILES | Brc1cnc(c(c1)C(F)(F)F)N1CCOCC1 |
| Synonyms | 4-[5-BRomo-3-(trifluoromethyl)pyridin-2-yl]morpholine,
856166-07-9,
SCHEMBL3953284,
TZMAFVUGROWQGB-UHFFFAOYSA-N,
2-(Morpholin-4-yl)-3-trifluoromethyl-5-bromopyridine,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.102g/mol |
| Monoisotopic Mass | 309.993g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number