+Open data
-Basic information
Entry | Database: PDB chemical components / ID: B3R | ||
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Name | Name: Wikipedia | Wikipedia - Monobromophenol: The monobromophenols are chemical compounds consisting of phenol substituted with a bromine atom. There are three isomers, 2-bromophenol, 3-bromophenol, and 4-bromophenol.
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-Chemical information
Composition | Formula: C6H5BrO / Number of atoms: 13 / Formula weight: 173.007 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: B3R / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3MSA | ||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEMBL / ChemicalBook / CompTox / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.0 | |
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