CHEMICAL AND PHYSICAL PROPERTIES
| Melting Point | 211-213 |
|---|---|
| Collision Cross Section | 171.9 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 3090 |
COMPUTED DESCRIPTORS
| Molecular Weight | 393.7 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 391.94981 g/mol |
| Monoisotopic Mass | 391.94981 g/mol |
| Topological Polar Surface Area | 71.3 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 465 |
| 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 |
PRODUCT INTRODUCTION
description
Brotizolam is an organic molecular entity.