51753-57-2
Product Name:
7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-Benzodiazepin-2-one
Formula:
C15H10BrClN2O
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 166 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
|---|---|
| Kovats Retention Index | 2270 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H225:Flammable liquids H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 349.61 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 347.96650 g/mol |
| Monoisotopic Mass | 347.96650 g/mol |
| Topological Polar Surface Area | 41.5 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 415 |
| 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 |