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- ChemComp-341: (3,5-difluorophenyl)methanol -

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Basic information

EntryDatabase: PDB chemical components / ID: 341
NameName: (3,5-difluorophenyl)methanol

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Chemical information

Composition
Formula: C7H6F2O / Number of atoms: 16 / Formula weight: 144.119 / Formal charge: 0
Others

3eon

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 341 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3EON
History
Create componentOct 2, 2008
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
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 10.04Fc1cc(cc(F)c1)CO
CACTVS 3.341OCc1cc(F)cc(F)c1
OpenEye OEToolkits 1.5.0c1c(cc(cc1F)F)CO

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SMILES CANONICAL

CACTVS 3.341OCc1cc(F)cc(F)c1
OpenEye OEToolkits 1.5.0c1c(cc(cc1F)F)CO

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InChI

InChI 1.03InChI=1S/C7H6F2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2

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InChIKey

InChI 1.03LOGIHEKXJKHXEC-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(3,5-difluorophenyl)methanol
OpenEye OEToolkits 1.5.0(3,5-difluorophenyl)methanol

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PDB entries

Showing all 1 items

PDB-3eon:
2.55A crystal structure of native glutaryl-coa dehydrogenase from Burkholderia pseudomallei in complex with a small molecule

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