| CAS Number | 1311320-16-7 |
| Catalog Number | AG01AH0E |
| Chemical Name | tert-Butyl n-[(2s)-2-(4-fluorophenyl)-2-hydroxyethyl]carbamate |
| IUPAC Name | tert-butyl N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]carbamate |
| InChI | InChI=1S/C13H18FNO3/c1-13(2,3)18-12(17)15-8-11(16)9-4-6-10(14)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,17)/t11-/m1/s1 |
| InChI Key | GAHLVVSVSXNJDS-LLVKDONJSA-N |
| MDL Number | MFCD18785454 |
| Molecular Formula | C13H18FNO3 |
| Molecular Weight | 255.2853 |
| SMILES | CC(OC(NC[C@H](C1=CC=C(F)C=C1)O)=O)(C)C |
| Synonyms | tert-butyl N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]carbamate,
1311320-16-7,
ZINC8699513,
NE39708,
EN300-73352,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.127072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.28g/mol |
| Monoisotopic Mass | 255.127072g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number