1000576-96-4
Product Name:
2-Methyl-4-(trifluoromethoxy)phenylisothiocyanate
Formula:
C9H6F3NOS
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COMPUTED DESCRIPTORS
| Molecular Weight | 233.21 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 233.01221947 g/mol |
| Monoisotopic Mass | 233.01221947 g/mol |
| Topological Polar Surface Area | 53.7 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 263 |
| 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 |