341967-79-1
Product Name:
1-[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]-1,4-DIAZEPANE
Formula:
C12H13F3N4O4
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 37.9 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 334.25 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 1 |
| Exact Mass | 334.08888939 g/mol |
| Monoisotopic Mass | 334.08888939 g/mol |
| Topological Polar Surface Area | 107 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 427 |
| 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 |