23642-66-2
Product Name:
BENFLUOREX HYDROCHLORIDE
Formula:
C19H20F3NO2.ClH
Synonyms:
N-(1-Methyl-2-(3-[trifluoromethyl]-phenyl)ethyl]aminoethanol benzoate ester
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 180.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 387.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 387.1212911 g/mol |
| Monoisotopic Mass | 387.1212911 g/mol |
| Topological Polar Surface Area | 38.3 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 408 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |