219793-60-9
Product Name:
ETHYL 2-CYANO-3-[4-(3,4,5-TRIBROMO-1H-PYRAZOL-1-YL)ANILINO]ACRYLATE
Formula:
C15H11Br3N4O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 519.0 g/mol |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 517.84116 g/mol |
| Monoisotopic Mass | 515.84321 g/mol |
| Topological Polar Surface Area | 79.9 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 528 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |