CHEBI:4720 - DuP 697

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name DuP 697
ChEBI ID CHEBI:4720
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C17H12BrFO2S2
C17H12BrFO2S2
Net Charge 0
Average Mass 411.311
Monoisotopic Mass 409.94461
InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
InChIKey AJFTZWGGHJXZOB-UHFFFAOYSA-N
SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1
ChEBI Ontology
Outgoing DuP 697 (CHEBI:4720) is a thiophenes (CHEBI:26961)
Synonym Source
DuP 697 KEGG COMPOUND
Manual Xrefs Databases
C11704 KEGG COMPOUND
LSM-2119 LINCS
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Registry Number Type Source
88149-94-4 CAS Registry Number KEGG COMPOUND
Last Modified
24 February 2016