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8D2

Summary
Name:6-[(2-fluorophenyl)methoxy]phthalazine-1,4-dione
Formula:C15 H9 F N2 O3
Formal charge:0
Formula weight:284.242 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76-[(2-fluorophenyl)methoxy]phthalazine-1,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C15H9FN2O3/c16-13-4-2-1-3-9(13)8-21-10-5-6-11-12(7-10)15(20)18-17-14(11)19/h1-7H,8H2
InChIKeyInChI1.06ZHASGVHVJZWXHL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccccc1COc2ccc3C(=O)N=NC(=O)c3c2
SMILESCACTVS3.385Fc1ccccc1COc2ccc3C(=O)N=NC(=O)c3c2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)COc2ccc3c(c2)C(=O)N=NC3=O)F
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)COc2ccc3c(c2)C(=O)N=NC3=O)F

222415

数据于2024-07-10公开中

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