67973-25-5
Product Name:
3-BROMO-5-BENZYLOXY-2,6-DINITROBENZOIC ACID BENZYL ESTER
Formula:
C21H15BrN2O7
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COMPUTED DESCRIPTORS
| Molecular Weight | 487.3 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 486.00626 g/mol |
| Monoisotopic Mass | 486.00626 g/mol |
| Topological Polar Surface Area | 127 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 626 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |