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Substance Name: 1H-Pyrazole-3,4-dicarboxylic acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, diethyl ester
RN: 96722-98-4
InChIKey: CCBGRZOLTPEDBO-UHFFFAOYSA-N

Molecular Formula

  • C22-H18-Br-F3-N2-O4

Molecular Weight

  • 511.292
 
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Names and Synonyms

  • 1H-Pyrazole-3,4-dicarboxylic acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, diethyl ester

Registry Numbers

CAS Registry Number

  • 96722-98-4

System Generated Number

  • 0096722984

Structure Descriptors

InChI

1S/C22H18BrF3N2O4/c1-3-31-20(29)17-18(21(30)32-4-2)27-28(19(17)13-7-5-9-15(23)11-13)16-10-6-8-14(12-16)22(24,25)26/h5-12H,3-4H2,1-2H3

InChIKey

CCBGRZOLTPEDBO-UHFFFAOYSA-N

Smiles

n1(nc(c(c1c1cc(ccc1)Br)C(=O)OCC)C(=O)OCC)c1cc(ccc1)C(F)(F)F