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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 19:29, 16 February 2012 (Saving copy of the {{chembox}} taken from revid 458843752 of page A-423,579 for the Chem/Drugbox validation project (updated: 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 19:29, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 458843752 of page A-423,579 for the Chem/Drugbox validation project (updated: 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 458843752 of page A-423,579 with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Stereo, Kekulé, skeletal formula of A-423,579 (({}))
Names
IUPAC name 4-(4-{3-propoxy}-3,5-difluorophenyl)benzonitrile
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C22H25F2N3O/c1-26(2)19-8-10-27(15-19)9-3-11-28-22-20(23)12-18(13-21(22)24)17-6-4-16(14-25)5-7-17/h4-7,12-13,19H,3,8-11,15H2,1-2H3/t19-/m1/s1Key: DJXFZKXYKKBTDR-LJQANCHMSA-N
SMILES
  • CN(C)C1CCN(CCCOC2=C(F)C=C(C=C2F)C2=CC=C(C=C2)C#N)C1
  • CN(C)C1CCN(CCCOc2c(F)cc(cc2F):c2ccc(cc2)C#N)C1
Properties
Chemical formula C22H25F2N3O
Molar mass 385.4502 g mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound