2649788-76-9

Name INDEX NAME NOT YET ASSIGNED
CAS 2649788-76-9
Molecular Formula C20H25BN2O4S
Molecular Weight 400.3
MOL File 2649788-76-9.mol
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Chemical Properties

Boiling point  517.4±50.0 °C(Predicted)
density  1.21±0.1 g/cm3(Predicted)
pka 11.68±0.43(Predicted)
InChI InChI=1S/C20H25BN2O4S/c1-18(2,3)25-17(24)23-16-12(11-22)15-13(9-8-10-14(15)28-16)21-26-19(4,5)20(6,7)27-21/h8-10H,1-7H3,(H,23,24)
InChIKey KPFYQWZJXGACBZ-UHFFFAOYSA-N
SMILES C(C1=C(SC2=CC=CC(B3OC(C)(C)C(C)(C)O3)=C12)NC(=O)OC(C)(C)C)#N

Spectrum Detail

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