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- ChemComp-FAH: fluoroacetic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: FAH
NameName: fluoroacetic acid

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Chemical information

Composition
Formula: C2H3FO2 / Number of atoms: 8 / Formula weight: 78.042 / Formal charge: 0
Others

3kuw

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FAH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3KUW
History
Create componentMar 17, 2010
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / CompTox / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / 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

ACDLabs 12.01FCC(=O)O
CACTVS 3.370OC(=O)CF
OpenEye OEToolkits 1.7.0C(C(=O)O)F

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SMILES CANONICAL

CACTVS 3.370OC(=O)CF
OpenEye OEToolkits 1.7.0C(C(=O)O)F

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InChI

InChI 1.03InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)

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InChIKey

InChI 1.03QEWYKACRFQMRMB-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01fluoroacetic acid
OpenEye OEToolkits 1.7.02-fluoroethanoic acid

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