2828439-79-6
Product Name:
Benzoic acid, 4-[2-(4-boronophenyl)ethynyl]-, 1-methyl ester
Formula:
C16H13BO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 280.1 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 280.0906891 g/mol |
| Monoisotopic Mass | 280.0906891 g/mol |
| Topological Polar Surface Area | 66.8 Ų |
| Heavy Atom Count | 21 |
| 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 |