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Benfluorex S-422

PropertiesImage
MNX_IDMNXM1593477 Image of MNXM1593477
referencevmhM:benfs422
vmhM:benfs422
formulaC12H17F3NO
global charge1
mol weight248.268
InChIKeyQAFJMZFAQFGVJS-UHFFFAOYSA-O
InChIInChI=1S/C12H16F3NO/c1-9(16-5-6-17)7-10-3-2-4-11(8-10)12(13,14)15/h2-4,8-9,16-17H,5-7H2,1H3/p+1
SMILESCC(Cc1cccc(C(F)(F)F)c1)[NH2+]CCO
MNX internals
InChI (mnx)InChI=1/C12H16F3NO/c1-9(16-5-6-17)7-10-3-2-4-11(8-10)12(13,14)15/h2-4,8-9,16-17H,5-7H2,1H3/t9? Image of MNXM1593477
SMILES (mnx)[CH3:1][CH:9]([CH2:7][c:10]1[cH:3][cH:2][cH:4][c:11]([C:12]([F:13])([F:14])[F:15])[cH:8]1)[NH:16][CH2:5][CH2:6][OH:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

vmhM:benfs422
vmhM:benfs422
vmhmetabolite:benfs422
vmhmetabolite:benfs422
QAFJMZFAQFGVJS-UHFFFAOYSA-O 		Benfluorex S-422

vmhM:M_benfs422 		secondary/obsolete/fantasy identifier