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UB8

Summary
Name:(3M)-5,6-dichloro-3-(2-chlorophenyl)-1H-indole-2-carboxylic acid
Formula:C15 H8 Cl3 N O2
Formal charge:0
Formula weight:340.589 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3M)-5,6-dichloro-3-(2-chlorophenyl)-1H-indole-2-carboxylic acid
OpenEye OEToolkits2.0.75,6-bis(chloranyl)-3-(2-chlorophenyl)-1~{H}-indole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccccc1c1c2cc(Cl)c(Cl)cc2[NH]c1C(=O)O
InChIInChI1.06InChI=1S/C15H8Cl3NO2/c16-9-4-2-1-3-7(9)13-8-5-10(17)11(18)6-12(8)19-14(13)15(20)21/h1-6,19H,(H,20,21)
InChIKeyInChI1.06UMIQEJUGZXWUSH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1[nH]c2cc(Cl)c(Cl)cc2c1c3ccccc3Cl
SMILESCACTVS3.385OC(=O)c1[nH]c2cc(Cl)c(Cl)cc2c1c3ccccc3Cl
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)c2c3cc(c(cc3[nH]c2C(=O)O)Cl)Cl)Cl
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)c2c3cc(c(cc3[nH]c2C(=O)O)Cl)Cl)Cl

222415

건을2024-07-10부터공개중

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