872213-44-0
Product Name:
3-(3-BROMO-4-METHOXYPHENYL)-2-((4-BROMOPHENYL)SULFONYL)PROP-2-ENENITRILE
Formula:
C16H11Br2NO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 457.1 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 456.88059 g/mol |
| Monoisotopic Mass | 454.88264 g/mol |
| Topological Polar Surface Area | 75.5 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 582 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |