2102409-65-2
Product Name:
Benzoic acid, 6-amino-3-cyano-2-fluoro-, methyl ester
Formula:
C9H7FN2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 194.16 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 194.04915563 g/mol |
| Monoisotopic Mass | 194.04915563 g/mol |
| Topological Polar Surface Area | 76.1 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 273 |
| 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 |