1217843-04-3
Product Name:
METHYL (2S,4S)-4-(2-BROMO-4-METHYLPHENOXY)-2-PYRROLIDINECARBOXYLATE
Formula:
C13H16BrNO3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 314.17 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 313.03136 g/mol |
| Monoisotopic Mass | 313.03136 g/mol |
| Topological Polar Surface Area | 47.6 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 300 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |