905710-80-7
Product Name:
1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-5-carbonitrile
Formula:
C8H6BNO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 158.95 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 159.0491586 g/mol |
| Monoisotopic Mass | 159.0491586 g/mol |
| Topological Polar Surface Area | 53.2 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 224 |
| 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 |