5-Butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole

CAS Registry Number®

10185-66-7

CAS Name

5-Butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole

Molecular Formula

C12H13N3O3

Molecular Mass

247.25

Cite this Page

5-Butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10185-66-7 (retrieved 2024-11-24) (CAS RN: 10185-66-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    145 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H13N3O3/c1-2-3-7-11-13-12(14-18-11)9-5-4-6-10(8-9)15(16)17/h4-6,8H,2-3,7H2,1H3

InChIKey

InChIKey=SQJSMRSHJOWWNR-UHFFFAOYSA-N

SMILES

N(=O)(=O)C=1C=C(C=CC1)C=2N=C(CCCC)ON2

Canonical SMILES

O=N(=O)C1=CC=CC(=C1)C2=NOC(=N2)CCCC

Other Names for this Substance

  • 1,2,4-Oxadiazole, 5-butyl-3-(3-nitrophenyl)-
  • 1,2,4-Oxadiazole, 5-butyl-3-(m-nitrophenyl)-
  • 5-Butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole

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