Marvin  06280709362D          

  5  4  0  0  0  0            999 V2000
   -0.3572   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2063    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  5  3  2  0  0  0  0
  4  3  1  0  0  0  0
M  END
> <ID>
CHEBI:30775

> <NAME>
fluoroacetic acid

> <DEFINITION>
A haloacetic acid that is acetic acid in which one of the methyl hydrogens is substituted by fluorine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:24065; CHEBI:5114

> <SYNONYM>
UN 2642; monofluoroacetic acid; Monofluoressigsaure; HFA; Gifblaar poison; Fluoroacetic acid; Cymonic acid; acide-monofluoracetique

> <IUPAC_NAME>
fluoroacetic acid

> <FORMULA>
C2H3FO2

> <MASS>
78.04242

> <MONOISOTOPIC_MASS>
78.01171

> <CHARGE>
0

> <SMILES>
OC(=O)CF

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

> <INCHIKEY>
QEWYKACRFQMRMB-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1739053

> <CAS_REGISTRY_NUMBER>
144-49-0

> <GMELIN_REGISTRY_NUMBER>
25730

> <REAXYS_REGISTRY_NUMBER>
1739053

> <CHEMIDPLUS>
144-49-0

> <KEGG_COMPOUND_ACCESSION>
C06108

> <KNAPSACK_ACCESSION>
C00001196

> <NIST_CHEMISTRY_WEBBOOK>
144-49-0

> <PDBECHEM_ACCESSION>
FAH

> <WIKIPEDIA_ACCESSION>
Fluoroacetic_acid

> <PUBMED_CITATION>
17141253; 17425556; 18803668; 19069133; 19279811; 21411227

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