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- ChemComp-QH7: 2,3,6-trifluoro-N-hydroxybenzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: QH7
NameName: 2,3,6-trifluoro-N-hydroxybenzamide

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Chemical information

Composition
Formula: C7H4F3NO2 / Number of atoms: 17 / Formula weight: 191.107 / Formal charge: 0
Others

8d99

Type: non-polymer / PDB classification: HETAIN / Three letter code: QH7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8D99
History
Create componentJun 10, 2022
Initial releaseSep 28, 2022
External linksUniChem / ChemSpider / PubChem / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01Fc1c(C(=O)NO)c(F)ccc1F
CACTVS 3.385ONC(=O)c1c(F)ccc(F)c1F
OpenEye OEToolkits 2.0.7c1cc(c(c(c1F)C(=O)NO)F)F

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SMILES CANONICAL

CACTVS 3.385ONC(=O)c1c(F)ccc(F)c1F
OpenEye OEToolkits 2.0.7c1cc(c(c(c1F)C(=O)NO)F)F

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InChI

InChI 1.03InChI=1S/C7H4F3NO2/c8-3-1-2-4(9)6(10)5(3)7(12)11-13/h1-2,13H,(H,11,12)

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InChIKey

InChI 1.03YFACAFBGONHFNI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012,3,6-trifluoro-N-hydroxybenzamide
OpenEye OEToolkits 2.0.72,3,6-tris(fluoranyl)-~{N}-oxidanyl-benzamide

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PDB entries

Showing all 1 items

PDB-8d99:
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 7

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