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PHQ

Summary
Name:benzyl chlorocarbonate
Formula:C8 H7 Cl O2
Formal charge:0
Formula weight:170.593 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01benzyl carbonochloridate
OpenEye OEToolkits1.7.0phenylmethyl carbonochloridate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01ClC(=O)OCc1ccccc1
SMILES_CANONICALCACTVS3.370ClC(=O)OCc1ccccc1
SMILESCACTVS3.370ClC(=O)OCc1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)COC(=O)Cl
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)COC(=O)Cl
InChIInChI1.03InChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyInChI1.03HSDAJNMJOMSNEV-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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