1261642-35-6
Product Name:
Ibuprofen Related Compound C
Formula:
C13H17ClO
Synonyms:
1-(4-Isobutylphenyl)ethanone;1-Acetyl-4-isobutylbenzene;4′-Isobutylacetophenone
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COMPUTED DESCRIPTORS
| Molecular Weight | 224.72 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 224.0967929 g/mol |
| Monoisotopic Mass | 224.0967929 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 213 |
| 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 |