1246088-41-4

Name 5-Bromo-1-(phenylsulfonyl)-1H-pyrrolo-[2,3-b]pyridine-2-carboxylic acid
CAS 1246088-41-4
Molecular Formula C14H9BrN2O4S
MDL Number MFCD17171347
Molecular Weight 381.2
MOL File 1246088-41-4.mol
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Chemical Properties

Boiling point  609.0±65.0 °C(Predicted)
density  1.76±0.1 g/cm3(Predicted)
form  solid
pka 3.05±0.30(Predicted)
InChI 1S/C14H9BrN2O4S/c15-10-6-9-7-12(14(18)19)17(13(9)16-8-10)22(20,21)11-4-2-1-3-5-11/h1-8H,(H,18,19)
InChIKey PJYCZUYUVLBGRU-UHFFFAOYSA-N
SMILES OC(=O)c1cc2cc(Br)cnc2n1S(=O)(=O)c3ccccc3

Safety Data

WGK Germany  WGK 3
HazardClass  IRRITANT
Storage Class 11 - Combustible Solids

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