CAS: | 84379-13-5 |
MF: | C19H20BrN3O3 |
MW: | 418.28 |
EINECS: | 240-723-0 |
Product Categories: | 84379-13-5 |
Mol File: | 84379-13-5.mol |
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Bretazenil Chemical Properties |
Boiling point | 594.3±50.0 °C(Predicted) |
density | 1.56±0.1 g/cm3(Predicted) |
storage temp. | 2-8°C |
solubility | DMSO: 24 mg/mL, soluble |
form | solid |
pka | 0.78±0.20(Predicted) |
color | white |
InChI | InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1 |
InChIKey | LWUDDYHYYNNIQI-ZDUSSCGKSA-N |
SMILES | N12C=NC(C(OC(C)(C)C)=O)=C1[C@]1([H])CCCN1C(=O)C1=C(Br)C=CC=C12 |
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