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YLZ

Summary
Name:[(2~{R})-2,3-bis(oxidanyl)propoxy]-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]borinic acid
Formula:C8 H12 B F3 N2 O4
Formal charge:0
Formula weight:267.998 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[(2~{R})-2,3-bis(oxidanyl)propoxy]-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]borinic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C8H12BF3N2O4/c1-14-7(2-6(13-14)8(10,11)12)9(17)18-4-5(16)3-15/h2,5,15-17H,3-4H2,1H3
InChIKeyInChI1.06YSSTVIJJFZPQNG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1nc(cc1B(O)OC[C@H](O)CO)C(F)(F)F
SMILESCACTVS3.385Cn1nc(cc1B(O)OC[CH](O)CO)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7B(c1cc(nn1C)C(F)(F)F)(O)OC[C@@H](CO)O
SMILESOpenEye OEToolkits2.0.7B(c1cc(nn1C)C(F)(F)F)(O)OCC(CO)O

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PDB entries from 2024-08-07

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