860786-20-5
Product Name:
2-(7-NITRO-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-2-YL)ETHYL 4-IODOBENZENECARBOXYLATE
Formula:
C17H13IN2O6
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COMPUTED DESCRIPTORS
| Molecular Weight | 468.20 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 467.98183 g/mol |
| Monoisotopic Mass | 467.98183 g/mol |
| Topological Polar Surface Area | 110 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 546 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |