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A1BVD

Summary
Name:3-hydroxypropyl 2-(4-fluorobenzoyl)benzoate
Formula:C17 H15 F O4
Formal charge:0
Formula weight:302.297 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.523-hydroxypropyl 2-(4-fluorobenzoyl)benzoate
OpenEye OEToolkits3.1.0.03-oxidanylpropyl 2-(4-fluorophenyl)carbonylbenzoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(c1ccc(F)cc1)c1ccccc1C(=O)OCCCO
InChIInChI1.06InChI=1S/C17H15FO4/c18-13-8-6-12(7-9-13)16(20)14-4-1-2-5-15(14)17(21)22-11-3-10-19/h1-2,4-9,19H,3,10-11H2
InChIKeyInChI1.06RXPHTXXLGDDNLI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OCCCOC(=O)c1ccccc1C(=O)c2ccc(F)cc2
SMILESCACTVS3.385OCCCOC(=O)c1ccccc1C(=O)c2ccc(F)cc2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)OCCCO
SMILESOpenEye OEToolkits3.1.0.0c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)OCCCO

248335

PDB entries from 2026-01-28

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