680212-98-0
Product Name:
2-(TERT-BUTYL)-4,5,6-TRIMETHYL-3-NITROPHENYL ISOTHIOCYANATE
Formula:
C14H18N2O2S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 278.37 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 278.10889899 g/mol |
| Monoisotopic Mass | 278.10889899 g/mol |
| Topological Polar Surface Area | 90.3 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 393 |
| 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 |