640280-38-2
Product Name:
Benzoic acid, 2,2-[[4-(trifluoromethyl)-1,2-phenylene]diimino]bis- (9CI)
Formula:
C21H15F3N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 416.3 g/mol |
|---|---|
| XLogP3 | 6.9 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 416.09839145 g/mol |
| Monoisotopic Mass | 416.09839145 g/mol |
| Topological Polar Surface Area | 98.7 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 616 |
| 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 |