725-37-1
Product Name:
2-Penten-1-one, 1-(4-chlorophenyl)-4-methyl-4-nitro-
Formula:
C12H12ClNO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 253.68 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 253.0505709 g/mol |
| Monoisotopic Mass | 253.0505709 g/mol |
| Topological Polar Surface Area | 62.9 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 325 |
| 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 |