866051-66-3
Product Name:
Benzenebutanoic acid, α-(4-bromophenyl)-3-methyl-γ-oxo-, methyl ester (9CI)
Formula:
C18H17BrO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 361.2 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 360.03611 g/mol |
| Monoisotopic Mass | 360.03611 g/mol |
| Topological Polar Surface Area | 43.4 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 388 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |