| CAS Number | 689232-63-1 |
| Catalog Number | AG01F9DR(AGN-PC-3H49C9) |
| Chemical Name | tert-Butyl 2-(3-fluorophenyl)propan-2-ylcarbamate |
| IUPAC Name | tert-butyl N-[2-(3-fluorophenyl)propan-2-yl]carbamate |
| InChI | InChI=1S/C14H20FNO2/c1-13(2,3)18-12(17)16-14(4,5)10-7-6-8-11(15)9-10/h6-9H,1-5H3,(H,16,17) |
| InChI Key | ZIGJZZZOBRPZTI-UHFFFAOYSA-N |
| MDL Number | MFCD18378248 |
| Molecular Formula | C14H20FNO2 |
| Molecular Weight | 253.3125 |
| SMILES | O=C(NC(c1cccc(c1)F)(C)C)OC(C)(C)C |
| Synonyms | tert-Butyl 2-(3-fluorophenyl)propan-2-ylcarbamate,
689232-63-1,
tert-Butyl (2-(3-fluorophenyl)propan-2-yl)carbamate,
SCHEMBL5969759,
ZIGJZZZOBRPZTI-UHFFFAOYSA-N,
ZINC67801304,
KS-6639,
N-Boc-1-(3-fluorophenyl)-1-methylethylamine,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.317g/mol |
| Monoisotopic Mass | 253.148g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number