59986-36-6
Product Name:
Ethanone, 2-bromo-1-(3-methyl-4-isoxazolyl)- (9CI)
Formula:
C6H6BrNO2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 204.02 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 202.95819 g/mol |
| Monoisotopic Mass | 202.95819 g/mol |
| Topological Polar Surface Area | 43.1 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 140 |
| 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 |