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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:4720 - DuP 697
Main
ChEBI Ontology
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ChEBI Name
DuP 697
ChEBI ID
CHEBI:4720
Stars
This entity has been manually annotated by a third party.
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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
View more database links
Registry Number
Type
Source
88149-94-4
CAS Registry Number
KEGG COMPOUND
Last Modified
24 February 2016