PA 824

CAS Registry Number®

187235-37-6

CAS Name

PA 824

Molecular Formula

C14H12F3N3O5

Molecular Mass

359.26

Cite this Page

PA 824.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=187235-37-6 (retrieved 2024-11-24) (CAS RN: 187235-37-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    149-150 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1

InChIKey

InChIKey=ZLHZLMOSPGACSZ-NSHDSACASA-N

SMILES

N(=O)(=O)C1=CN2C(=N1)OC[C@@H](OCC3=CC=C(OC(F)(F)F)C=C3)C2

Canonical SMILES

O=N(=O)C=1N=C2OCC(OCC3=CC=C(OC(F)(F)F)C=C3)CN2C1

Other Names for this Substance

  • 5H-Imidazo[2,1-b][1,3]oxazine, 6,7-dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-, (6S)-
  • 5H-Imidazo[2,1-b][1,3]oxazine, 6,7-dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-, (S)-
  • (6S)-6,7-Dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-5H-imidazo[2,1-b][1,3]oxazine
  • PA 824
  • (S)-PA 824

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