| CAS Number | 1086600-20-5 |
| Catalog Number | AG01F6KZ(AGN-PC-3H495N) |
| Chemical Name | tert-Butyl N-[(1R)-1-(2-bromo-4-fluorophenyl)ethyl]carbamate |
| IUPAC Name | tert-butyl N-[(1R)-1-(2-bromo-4-fluorophenyl)ethyl]carbamate |
| InChI | InChI=1S/C13H17BrFNO2/c1-8(16-12(17)18-13(2,3)4)10-6-5-9(15)7-11(10)14/h5-8H,1-4H3,(H,16,17)/t8-/m1/s1 |
| InChI Key | FZJZVHFDACTDDT-MRVPVSSYSA-N |
| MDL Number | MFCD30478261 |
| Molecular Formula | C13H17BrFNO2 |
| Molecular Weight | 318.182 |
| SMILES | O=C(OC(C)(C)C)N[C@@H](c1ccc(cc1Br)F)C |
| Synonyms | tert-Butyl N-[(1R)-1-(2-bromo-4-fluorophenyl)ethyl]carbamate,
1086600-20-5,
SCHEMBL1345707,
ZINC115921038,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.186g/mol |
| Monoisotopic Mass | 317.043g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number