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CHEBI:133766 - (S)-mefenpyr

ChEBI IDCHEBI:133766
ChEBI Name(S)-mefenpyr
Stars
ASCII Name(S)-mefenpyr
DefinitionA 1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid that has S configuration.
Last Modified15 May 2019
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H10Cl2N2O4
Net Charge0
Average Mass317.128
Monoisotopic Mass316.00176
SMILESC[C@@]1(C(=O)O)CC(C(=O)O)=NN1c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2N2O4/c1-12(11(19)20)5-8(10(17)18)15-16(12)9-3-2-6(13)4-7(9)14/h2-4H,5H2,1H3,(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeyXEJNEDVTJPXRSM-LBPRGKRZSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(S)-mefenpyr (CHEBI:133766) is a 1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid (CHEBI:133764)
(S)-mefenpyr (CHEBI:133766) is enantiomer of (R)-mefenpyr (CHEBI:133765)
Incoming Relation(s)
(S)-mefenpyr-diethyl (CHEBI:133785) has functional parent (S)-mefenpyr (CHEBI:133766)
mefenpyr (CHEBI:133767) has part (S)-mefenpyr (CHEBI:133766)
(R)-mefenpyr (CHEBI:133765) is enantiomer of (S)-mefenpyr (CHEBI:133766)
IUPAC Name 
(5S)-1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid