Visit our website to find more information like suppliers, MSDS, infra-red (IR), nuclear magnetic resonance spectra (NMR), bp, mp, nd20, molecular formula (MF), molfile, sdf file, structure, 3d model. You will also find information like safety, risk, hazard and MSDS. This database is a catalog of over 1500000 chemicals and over 1000 chemical suppliers. If you are a supplier you may also add your own catalog of chemicals.

Enter a name, molecular formula, cas number or SMILES more info Find chemicals.  Search by structure  Advanced Search

Celebrex	Predict NMR spectrum	RN:  169590-42-5 MF:  C17H14F3N3O2S MW:  381.372269
InChI:  1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) InChIKey:  RZEKVGVHFLEQIL-UHFFFAOYSA-N	H donor:  1 H acceptor:  5 Rotatable bond:  4 Stereocenter:  0	cLogP:  2.633 cLogS:  -4.174 Polar surface:  86.36 NEW: 3D model:  Show
Permanent link: http://www.chemexper.com/search/cas/169590425.html		Report error(s)

ChemExper Chemical Directory : catalog of chemicals and suppliers