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- ChemComp-OLQ: 2,6-difluoro-3-methoxybenzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: OLQ
NameName: 2,6-difluoro-3-methoxybenzamide / Synonyms: 2,6-bis(fluoranyl)-3-methoxy-benzamide

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Chemical information

Composition
Formula: C8H7F2NO2 / Number of atoms: 20 / Formula weight: 187.143 / Formal charge: 0
Others

6yd1

Type: non-polymer / PDB classification: HETAIN / Three letter code: OLQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6YD1
History
Create componentMar 20, 2020
Modify synonymsJun 5, 2020
Initial releaseJul 28, 2021
External linksUniChem / ChemSpider / ChEMBL / ChemicalBook / PubChem / SureChEMBL / 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 3.385COc1ccc(F)c(C(N)=O)c1F
OpenEye OEToolkits 2.0.7COc1ccc(c(c1F)C(=O)N)F

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SMILES CANONICAL

CACTVS 3.385COc1ccc(F)c(C(N)=O)c1F
OpenEye OEToolkits 2.0.7COc1ccc(c(c1F)C(=O)N)F

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InChI

InChI 1.03InChI=1S/C8H7F2NO2/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3H,1H3,(H2,11,12)

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InChIKey

InChI 1.03JWQAQJXFEPQZIV-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6yd1:
SaFtsZ-DFMBA

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