2649788-75-8

Name INDEX NAME NOT YET ASSIGNED
CAS 2649788-75-8
Molecular Formula C14H13BrN2O2S
Molecular Weight 353.23
MOL File 2649788-75-8.mol
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Chemical Properties

Boiling point  441.7±45.0 °C(Predicted)
density  1.53±0.1 g/cm3(Predicted)
pka 11.28±0.43(Predicted)
InChI InChI=1S/C14H13BrN2O2S/c1-14(2,3)19-13(18)17-12-8(7-16)11-9(15)5-4-6-10(11)20-12/h4-6H,1-3H3,(H,17,18)
InChIKey NUKJBVCAKRBXQA-UHFFFAOYSA-N
SMILES C(C1=C(SC2=CC=CC(Br)=C12)NC(=O)OC(C)(C)C)#N

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