Identification Chemical Properties Supplier

906820-10-8

Name 5-Isoquinolinesulfonic acid, 4-fluoro-
CAS 906820-10-8
Molecular Formula C9H6FNO3S
Molecular Weight 227.21
MOL File 906820-10-8.mol
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Chemical Properties

density  1.580±0.06 g/cm3(Predicted)
pka -1.32±0.40(Predicted)
InChI InChI=1S/C9H6FNO3S/c10-7-5-11-4-6-2-1-3-8(9(6)7)15(12,13)14/h1-5H,(H,12,13,14)
InChIKey BGLJQUJLFSKPSR-UHFFFAOYSA-N
SMILES C1C2=C(C(S(O)(=O)=O)=CC=C2)C(F)=CN=1

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