Marvin  09020909252D          

 13 13  0  0  0  0            999 V2000
   12.1353   -5.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1353   -6.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4207   -4.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4207   -6.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7063   -5.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7063   -6.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8497   -4.9202    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.5642   -5.3327    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.8497   -4.0952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4207   -7.3952    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.7063   -7.8077    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1352   -7.8077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4207   -4.0952    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
  1  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
  4 10  1  0  0  0  0
  3 13  1  0  0  0  0
M  CHG  4   7   1   8  -1  10   1  11  -1
M  END
> <ID>
CHEBI:53049

> <NAME>
1-fluoro-2,4-dinitrobenzene

> <DEFINITION>
The organofluorine compound that is benzene with a fluoro substituent at the 1-position and two nitro substituents in the 2- and 4-positions.

> <STAR>
3

> <SYNONYM>
Fluorodinitrobenzene; Fluoro-2,4-dinitrobenzene; FDNB; DNFB; Dinitrofluorobenzene; DFB; 2,4-DNFB; 2,4-Dnfb; 2,4-Dinitrophenyl fluoride; 2,4-Dinitrofluorobenzene; 2,4-Dinitrobenzenefluoride; 2,4-Dinitrobenzene fluoride; 2,4-Dinitro-1-fluorobenzene; 1-Fluoro-2,4-dinitrobenzene; 1,2,4-Fluorodinitrobenzene

> <IUPAC_NAME>
1-fluoro-2,4-dinitrobenzene

> <FORMULA>
C6H3FN2O4

> <MASS>
186.09740

> <MONOISOTOPIC_MASS>
186.00768

> <CHARGE>
0

> <SMILES>
[O-][N+](=O)c1ccc(F)c(c1)[N+]([O-])=O

> <INCHI>
InChI=1S/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H

> <INCHIKEY>
LOTKRQAVGJMPNV-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
398632

> <CAS_REGISTRY_NUMBER>
70-34-8

> <GMELIN_REGISTRY_NUMBER>
564641

> <REAXYS_REGISTRY_NUMBER>
398632

> <CHEMIDPLUS>
70-34-8

> <METACYC_ACCESSION>
CPD-8983

> <NIST_CHEMISTRY_WEBBOOK>
70-34-8

> <WIKIPEDIA_ACCESSION>
1-Fluoro-2,4-dinitrobenzene

> <PUBMED_CITATION>
10570824; 10868578; 10910205; 11733853; 11739495; 12093520; 14630357; 15307184; 15328335; 15696100; 15801672; 17517538; 17917283; 1854019; 18827366; 18965207; 2100626; 2176869; 23076500; 23190882; 23199096; 23286949; 23395695; 23474456; 23529340; 2420897; 24399719; 2807957; 3121792; 7900773; 7994925; 8248333; 8466279; 9326394

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