4-(1,3-Benzodioxol-5-yl)-2-fluorobenzoic acid

CAS Registry Number®

1261976-08-2
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CAS Name

4-(1,3-Benzodioxol-5-yl)-2-fluorobenzoic acid

Molecular Formula

C14H9FO4

Molecular Mass

260.22

Cite this Page

4-(1,3-Benzodioxol-5-yl)-2-fluorobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1261976-08-2 (retrieved 2024-09-11) (CAS RN: 1261976-08-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H9FO4/c15-11-5-8(1-3-10(11)14(16)17)9-2-4-12-13(6-9)19-7-18-12/h1-6H,7H2,(H,16,17)

InChIKey

InChIKey=XDJUMOKUCZTXCK-UHFFFAOYSA-N

SMILES

FC=1C=C(C=2C=C3C(=CC2)OCO3)C=CC1C(O)=O

Canonical SMILES

O=C(O)C1=CC=C(C=C1F)C=2C=CC=3OCOC3C2

Other Names for this Substance

  • Benzoic acid, 4-(1,3-benzodioxol-5-yl)-2-fluoro-
  • 4-(1,3-Benzodioxol-5-yl)-2-fluorobenzoic acid