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2BR

Summary
Name:2-BROMOPHENOL
Synonyms:BROMOPHENOL
Formula:C6 H5 Br O
Formal charge:0
Formula weight:173.007 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-bromophenol
OpenEye OEToolkits1.5.02-bromophenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Brc1ccccc1O
SMILES_CANONICALCACTVS3.341Oc1ccccc1Br
SMILESCACTVS3.341Oc1ccccc1Br
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(c(c1)O)Br
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)O)Br
InChIInChI1.03InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKeyInChI1.03VADKRMSMGWJZCF-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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