380629-72-1
Product Name:
(5-NITRO-1,2-BENZISOXAZOL-3-YL)CARBAMIC ACID 1,1-DIMETHYL ETHYL ESTER
Formula:
C12H13N3O5
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 279.25 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 279.08552052 g/mol |
| Monoisotopic Mass | 279.08552052 g/mol |
| Topological Polar Surface Area | 110 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 390 |
| 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 |