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Substance Name: 2-Benzofuranmethanol, alpha-(4-nitrophenyl)-
RN: 3611-66-3
InChIKey: VPVXOXQYVCWECX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H11-N-O4

Molecular Weight

  • 269.255
 
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Names and Synonyms

Synonyms

  • 5-17-04-00595 (Beilstein Handbook Reference)
  • alpha-(4-Nitrophenyl)-2-benzofuranmethanol
  • BRN 1687817

Systematic Name

  • 2-Benzofuranmethanol, alpha-(4-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 3611-66-3

System Generated Number

  • 0003611663

Structure Descriptors

InChI

1S/C15H11NO4/c17-15(10-5-7-12(8-6-10)16(18)19)14-9-11-3-1-2-4-13(11)20-14/h1-9,15,17H

InChIKey

VPVXOXQYVCWECX-UHFFFAOYSA-N

Smiles

o1c(cc2c1cccc2)[C@@H](O)c1ccc(cc1)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 203, 1988.