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Substance Name: Acetic acid, (5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester
RN: 97181-05-0
InChIKey: KVCGXOQPKYEPIU-MDWZMJQESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H11-Br-O4

Molecular Weight

  • 323.1409
 
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Names and Synonyms

Synonyms

  • BRN 3552676
  • Ethyl (5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)acetate

Systematic Name

  • Acetic acid, (5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 97181-05-0

System Generated Number

  • 0097181050

Structure Descriptors

InChI

1S/C14H11BrO4/c1-2-18-14(17)8-13-11(16)7-12(19-13)9-3-5-10(15)6-4-9/h3-8H,2H2,1H3/b13-8+

InChIKey

KVCGXOQPKYEPIU-MDWZMJQESA-N

Smiles

C(\C=C1\OC(=CC1=O)c1ccc(cc1)Br)(=O)OCC

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.