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- ChemComp-QPK: 3-chloranyl-2,6-bis(fluoranyl)phenol -

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Basic information

EntryDatabase: PDB chemical components / ID: QPK
NameName: 3-chloranyl-2,6-bis(fluoranyl)phenol

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Chemical information

Composition
Formula: C6H3ClF2O / Number of atoms: 13 / Formula weight: 164.537 / Formal charge: 0
Others

6zt2

Type: non-polymer / PDB classification: HETAIN / Three letter code: QPK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6ZT2
History
Create componentJul 17, 2020
Initial releaseJul 28, 2021
External linksUniChem / ChemSpider / ChemicalBook / CompTox / PubChem / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385Oc1c(F)ccc(Cl)c1F
OpenEye OEToolkits 2.0.7c1cc(c(c(c1F)O)F)Cl

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SMILES CANONICAL

CACTVS 3.385Oc1c(F)ccc(Cl)c1F
OpenEye OEToolkits 2.0.7c1cc(c(c(c1F)O)F)Cl

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InChI

InChI 1.03InChI=1S/C6H3ClF2O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H

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InChIKey

InChI 1.03CCLYWHXHYLQWQK-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6zt2:
17beta-hydroxysteroid dehydrogenase type 14 variant S205 in complex with 3-chloro-2,6-difluorophenol

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