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H50

Summary
Name:1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid
Formula:C16 H11 Cl2 F O2
Formal charge:0
Formula weight:325.162 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid
OpenEye OEToolkits1.7.61-[4-(3,4-dichlorophenyl)-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc3ccc(c1c(F)cc(cc1)C2(C(=O)O)CC2)cc3Cl
InChIInChI1.03InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)
InChIKeyInChI1.03LIYLTQQDABRNRX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370OC(=O)C1(CC1)c2ccc(c(F)c2)c3ccc(Cl)c(Cl)c3
SMILESCACTVS3.370OC(=O)C1(CC1)c2ccc(c(F)c2)c3ccc(Cl)c(Cl)c3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl
SMILESOpenEye OEToolkits1.7.6c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl

219869

PDB entries from 2024-05-15

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