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- ChemComp-6B0: (2,3-dichlorophenyl)methanol -

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Basic information

EntryDatabase: PDB chemical components / ID: 6B0
NameName: (2,3-dichlorophenyl)methanol

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Chemical information

Composition
Formula: C7H6Cl2O / Number of atoms: 16 / Formula weight: 177.028 / Formal charge: 0
Others

5if5

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6B0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5IF5
History
Create componentFeb 26, 2016
Initial releaseMar 8, 2017
External linksUniChem / ChemSpider / 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 12.01OCc1cccc(Cl)c1Cl
CACTVS 3.385OCc1cccc(Cl)c1Cl
OpenEye OEToolkits 2.0.4c1cc(c(c(c1)Cl)Cl)CO

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SMILES CANONICAL

CACTVS 3.385OCc1cccc(Cl)c1Cl
OpenEye OEToolkits 2.0.4c1cc(c(c(c1)Cl)Cl)CO

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InChI

InChI 1.03InChI=1S/C7H6Cl2O/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2

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InChIKey

InChI 1.03STVBVTWXWZMRPZ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2,3-dichlorophenyl)methanol
OpenEye OEToolkits 2.0.4[2,3-bis(chloranyl)phenyl]methanol

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PDB entries

Showing all 1 items

PDB-5if5:
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to EBSI-39 (2,3-dichlorophenyl)methanol

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