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Substance Name: Acetic acid, (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester
RN: 139266-39-0
InChIKey: LXADYEUJCYSOLI-KPKJPENVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H9-F-O4

Molecular Weight

  • 248.2081
 
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Names and Synonyms

Synonyms

  • BRN 5435735
  • Methyl (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)acetate

Systematic Name

  • Acetic acid, (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester

Registry Numbers

CAS Registry Number

  • 139266-39-0

System Generated Number

  • 0139266390

Structure Descriptors

InChI

1S/C13H9FO4/c1-17-13(16)7-12-10(15)6-11(18-12)8-2-4-9(14)5-3-8/h2-7H,1H3/b12-7+

InChIKey

LXADYEUJCYSOLI-KPKJPENVSA-N

Smiles

COC(=O)/C=C/1\C(=O)C=C(O1)c2ccc(cc2)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 600mg/kg (600mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 891, 1991.