127389-40-6
Product Name:
3-(4-CHLORO-2-METHYLPHENOXY)-BETA-OXO-BENZENEPROPANENITRILE
Formula:
C16H12ClNO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 285.72 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 285.0556563 g/mol |
| Monoisotopic Mass | 285.0556563 g/mol |
| Topological Polar Surface Area | 50.1 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 389 |
| 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 |