4-[[6-(4-Fluorophenyl)-4-pyrimidinyl]amino]benzoic acid

CAS Registry Number®

1119453-11-0
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CAS Name

4-[[6-(4-Fluorophenyl)-4-pyrimidinyl]amino]benzoic acid

Molecular Formula

C17H12FN3O2

Molecular Mass

309.29

Cite this Page

4-[[6-(4-Fluorophenyl)-4-pyrimidinyl]amino]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1119453-11-0 (retrieved 2024-08-14) (CAS RN: 1119453-11-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H12FN3O2/c18-13-5-1-11(2-6-13)15-9-16(20-10-19-15)21-14-7-3-12(4-8-14)17(22)23/h1-10H,(H,22,23)(H,19,20,21)

InChIKey

InChIKey=FZQRLJNZWCCTIA-UHFFFAOYSA-N

SMILES

N(C1=CC(=NC=N1)C2=CC=C(F)C=C2)C3=CC=C(C(O)=O)C=C3

Canonical SMILES

O=C(O)C1=CC=C(C=C1)NC2=NC=NC(=C2)C=3C=CC(F)=CC3

Other Names for this Substance

  • Benzoic acid, 4-[[6-(4-fluorophenyl)-4-pyrimidinyl]amino]-
  • 4-[[6-(4-Fluorophenyl)-4-pyrimidinyl]amino]benzoic acid