459133-69-8
Product Name:
3-IODO-5-NITRO-1H-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Formula:
C12H12IN3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 389.15 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 388.98725 g/mol |
| Monoisotopic Mass | 388.98725 g/mol |
| Topological Polar Surface Area | 89.9 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 407 |
| 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 |