2490432-02-3

Name Benzoic acid, 3-(aminosulfonyl)-5-(butylnitrosoamino)-4-phenoxy-
CAS 2490432-02-3
Molecular Formula C17H19N3O6S
Molecular Weight 393.41
MOL File 2490432-02-3.mol
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Chemical Properties

Melting point  >76°C (dec.)
Boiling point  634.6±65.0 °C(Predicted)
density  1.40±0.1 g/cm3(Predicted)
storage temp.  -20°C Freezer, Under inert atmosphere
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 3.45±0.10(Predicted)
color  Pale Yellow to Light Yellow
InChI InChI=1S/C17H19N3O6S/c1-2-3-9-20(19-23)14-10-12(17(21)22)11-15(27(18,24)25)16(14)26-13-7-5-4-6-8-13/h4-8,10-11H,2-3,9H2,1H3,(H,21,22)(H2,18,24,25)
InChIKey PYLMCQWIQTYALH-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC(N(CCCC)N=O)=C(OC2=CC=CC=C2)C(S(N)(=O)=O)=C1

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