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BXB

Summary
Name:N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide
Formula:C15 H11 Cl2 N O3
Formal charge:0
Formula weight:324.159 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.02N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide
OpenEye OEToolkits1.6.1N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichloro-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02Clc1cccc(Cl)c1C(=O)NCc2ccc3OCOc3c2
SMILES_CANONICALCACTVS3.352Clc1cccc(Cl)c1C(=O)NCc2ccc3OCOc3c2
SMILESCACTVS3.352Clc1cccc(Cl)c1C(=O)NCc2ccc3OCOc3c2
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl
SMILESOpenEye OEToolkits1.7.0c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl
InChIInChI1.03InChI=1S/C15H11Cl2NO3/c16-10-2-1-3-11(17)14(10)15(19)18-7-9-4-5-12-13(6-9)21-8-20-12/h1-6H,7-8H2,(H,18,19)
InChIKeyInChI1.03NMKJFZCBCIUYHI-UHFFFAOYSA-N

223532

数据于2024-08-07公开中

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