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Substance Name: 7-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-alpha-methyl-
RN: 58902-62-8
InChIKey: SOMWHIGQBXDHPP-UHFFFAOYSA-N

Molecular Formula

  • C16-H12-Cl-N-O3

Molecular Weight

  • 301.728
 
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Names and Synonyms

Synonyms

  • 2-(4-Chlorophenyl)-alpha-methyl-7-benzoxazoleacetic acid
  • BRN 1139492

Systematic Name

  • 7-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-alpha-methyl-

Registry Numbers

CAS Registry Number

  • 58902-62-8

System Generated Number

  • 0058902628

Structure Descriptors

InChI

1S/C16H12ClNO3/c1-9(16(19)20)12-3-2-4-13-14(12)21-15(18-13)10-5-7-11(17)8-6-10/h2-9H,1H3,(H,19,20)

InChIKey

SOMWHIGQBXDHPP-UHFFFAOYSA-N

Smiles

c12c(nc(o2)c2ccc(Cl)cc2)cccc1[C@@H](C(O)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1200mg/kg (1200mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 169, 1977.