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3CH

Summary
Name:3-CHLOROPHENOL
Formula:C6 H5 Cl O
Formal charge:0
Formula weight:128.556 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-chlorophenol
OpenEye OEToolkits1.5.03-chlorophenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1cc(O)ccc1
SMILES_CANONICALCACTVS3.341Oc1cccc(Cl)c1
SMILESCACTVS3.341Oc1cccc(Cl)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc(c1)Cl)O
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)Cl)O
InChIInChI1.03InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKeyInChI1.03HORNXRXVQWOLPJ-UHFFFAOYSA-N

227111

数据于2024-11-06公开中

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