502842-44-6
Product Name:
Benzenepropanoic acid, β-amino-2-chloro-5-(trifluoromethyl)-, ethyl ester, ethanedioate (1:1)
Formula:
C14H15ClF3NO6
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COMPUTED DESCRIPTORS
| Molecular Weight | 385.72 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 6 |
| Exact Mass | 385.0539994 g/mol |
| Monoisotopic Mass | 385.0539994 g/mol |
| Topological Polar Surface Area | 127 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 383 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |