76639-93-5
Product Name:
Sch 40458
Formula:
C10H14FNO3S
Synonyms:
(αR)-α-[(1S)-1-Amino-2-fluoroethyl]-4-(methylsulfonyl)benzenemethanol;D -(−)-threo-2-Amino-3-fluoro-1-[4-(methylsulfonyl)phenyl]-1-propanol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 164.18 Ų [M+H]+ |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 247.29 g/mol |
|---|---|
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 247.06784264 g/mol |
| Monoisotopic Mass | 247.06784264 g/mol |
| Topological Polar Surface Area | 88.8 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 307 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |