37524-01-9
Product Name:
Benzoic acid, 4-bromo-3-hydroxy-2-nitro-, methyl ester
Formula:
C8H6BrNO5
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COMPUTED DESCRIPTORS
| Molecular Weight | 276.04 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 274.94293 g/mol |
| Monoisotopic Mass | 274.94293 g/mol |
| Topological Polar Surface Area | 92.4 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 266 |
| 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 |