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KI9

Summary
Name:2,3,4,6,8-PENTACHLORO-9H-CARBAZOL-1-OL
Formula:C12 H4 Cl5 N O
Formal charge:0
Formula weight:355.431 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.042,3,4,6,8-pentachloro-9H-carbazol-1-ol
OpenEye OEToolkits1.6.12,3,4,6,8-pentachloro-9H-carbazol-1-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1c(O)c3c(c(Cl)c1Cl)c2cc(Cl)cc(Cl)c2n3
SMILES_CANONICALCACTVS3.352Oc1c(Cl)c(Cl)c(Cl)c2c1[nH]c3c(Cl)cc(Cl)cc23
SMILESCACTVS3.352Oc1c(Cl)c(Cl)c(Cl)c2c1[nH]c3c(Cl)cc(Cl)cc23
SMILES_CANONICALOpenEye OEToolkits1.6.1c1c(cc(c2c1c3c([nH]2)c(c(c(c3Cl)Cl)Cl)O)Cl)Cl
SMILESOpenEye OEToolkits1.6.1c1c(cc(c2c1c3c([nH]2)c(c(c(c3Cl)Cl)Cl)O)Cl)Cl
InChIInChI1.03InChI=1S/C12H4Cl5NO/c13-3-1-4-6-7(15)8(16)9(17)12(19)11(6)18-10(4)5(14)2-3/h1-2,18-19H
InChIKeyInChI1.03AEMWOCRPUWTJCH-UHFFFAOYSA-N

227111

数据于2024-11-06公开中

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