H5B

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Summary

Name:4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid
Formula:C11 H7 Br O3
Formal charge:0
Molecular weight:267.075 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.64-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H7BrO3/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)
InChIKeyInChI1.03ORABWYPHDRBFAX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cc(Br)c2ccccc2c1O
SMILESCACTVS3.385OC(=O)c1cc(Br)c2ccccc2c1O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc2c(c1)c(cc(c2O)C(=O)O)Br
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)c(cc(c2O)C(=O)O)Br