CAS No. 1672665-49-4

 

Product Information

Chemical Formula: C17H12F3NO4S
Molecular Weight:383.34
Synonyms:PT2385; Benzonitrile, 3-[[(1S)-2,2-difluoro-2,3-dihydro-1-hydroxy-7-(methylsulfonyl)-1H-inden-4-yl]oxy]-5-fluoro-
MDL No.:MFCD28963916
EINECS / EC No.:N/A
Pubchem CID:91754484
IUPAC Name:3-[[(1S)-2,2-difluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile
Standard InchI:InChI=1S/C17H12F3NO4S/c1-26(23,24)14-3-2-13(12-7-17(19,20)16(22)15(12)14)25-11-5-9(8-21)4-10(18)6-11/h2-6,16,22H,7H2,1H3/t16-/m0/s1
InchI Key:ONBSHRSJOPSEGS-INIZCTEOSA-N
SMILES:CS(=O)(=O)C1=C2C(C(CC2=C(C=C1)OC3=CC(=CC(=C3)C#N)F)(F)F)O
Appearance:Powder
Melting Point:N/A
Boiling Point:N/A
Density (Theoretical):N/A
Solubility:10 mM in DMSO

Safety Information

Signal Word: Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305 P351 P338
Transportation Information:N/A
GHS Pictograms:Exclamation Mark - GHS07