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 |