CHEBI:191217 - O-(4-bromo-2,5-dichlorophenyl) O-methyl phenylphosphonothioate

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ChEBI Name O-(4-bromo-2,5-dichlorophenyl) O-methyl phenylphosphonothioate
ChEBI ID CHEBI:191217
ChEBI ASCII Name O-(4-bromo-2,5-dichlorophenyl) O-methyl phenylphosphonothioate
Definition An organic phosphonate that is phenylphosphonothioic O,O-acid in which the hydroxy groups are substituted by methoxy and 4-bromo-2,5-dichlorophenoxy groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H10BrCl2O2PS
Net Charge 0
Average Mass 412.060
Monoisotopic Mass 409.86996
InChI InChI=1S/C13H10BrCl2O2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3
InChIKey CVRALZAYCYJELZ-UHFFFAOYSA-N
SMILES COP(=S)(OC1=CC(Cl)=C(Br)C=C1Cl)C1=CC=CC=C1
ChEBI Ontology
Outgoing O-(4-bromo-2,5-dichlorophenyl) O-methyl phenylphosphonothioate (CHEBI:191217) is a bromobenzenes (CHEBI:37149)
O-(4-bromo-2,5-dichlorophenyl) O-methyl phenylphosphonothioate (CHEBI:191217) is a dichlorobenzene (CHEBI:23697)
O-(4-bromo-2,5-dichlorophenyl) O-methyl phenylphosphonothioate (CHEBI:191217) is a organic phosphonate (CHEBI:37592)
O-(4-bromo-2,5-dichlorophenyl) O-methyl phenylphosphonothioate (CHEBI:191217) is a phosphonic ester (CHEBI:37735)
Incoming (R)-leptophos (CHEBI:191215) is a O-(4-bromo-2,5-dichlorophenyl) O-methyl phenylphosphonothioate (CHEBI:191217)
(S)-leptophos (CHEBI:191216) is a O-(4-bromo-2,5-dichlorophenyl) O-methyl phenylphosphonothioate (CHEBI:191217)
IUPAC Name
O-(4-bromo-2,5-dichlorophenyl) O-methyl phenylphosphonothioate
Last Modified
28 April 2022
General Comment
2022-04-27 This is the entry for material with unspecified stereochemistry. There are separate entries for the racemate leptophos and its individual enantiomers.