864293-36-7
Product Name:
Benzoic acid, 2-amino-4,5-difluoro-, ethyl ester (9CI)
Formula:
C9H9F2NO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 201.17 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 201.06013485 g/mol |
| Monoisotopic Mass | 201.06013485 g/mol |
| Topological Polar Surface Area | 52.3 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 213 |
| 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 |