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FTV

Summary
Name:(2R)-2-(2,4-dichlorophenoxy)propanoic acid
Formula:C9 H8 Cl2 O3
Formal charge:0
Formula weight:235.064 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-2-(2,4-dichlorophenoxy)propanoic acid
OpenEye OEToolkits2.0.6(2~{R})-2-[2,4-bis(chloranyl)phenoxy]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1c(ccc(c1)Cl)OC(C)C(O)=O
InChIInChI1.03InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1
InChIKeyInChI1.03MZHCENGPTKEIGP-RXMQYKEDSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=O
SMILESCACTVS3.385C[CH](Oc1ccc(Cl)cc1Cl)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6C[C@H](C(=O)O)Oc1ccc(cc1Cl)Cl
SMILESOpenEye OEToolkits2.0.6CC(C(=O)O)Oc1ccc(cc1Cl)Cl

225158

PDB entries from 2024-09-18

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