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(Q82909472)
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English
2-(4-Bromophenyl)-1,3lambda~4~-oxathiolan-3-one
group of stereoisomers with the chemical formula C₉H₉BrO₂S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
259.95066262800003
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₉BrO₂S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=S1CCOC1c1ccc(Br)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=S1CCO[C@H]1c1ccc(Br)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H9BrO2S/c10-8-3-1-7(2-4-8)9-12-5-6-13(9)11/h1-4,9H,5-6H2/t9-,13?/m1/s1
0 references
InChIKey
LQGMRODQLQMMFQ-CGCSKFHYSA-N
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CAS Registry Number
149402-56-2
0 references
PubChem CID
177877
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
62817582
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40933641
0 references
DSSTOX compound identifier
DTXCID001362299
0 references
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