Benzoic acid, 2,4,6-trifluoro-3-nitro-, methyl ester

CAS Registry Number®

125568-72-1

CAS Name

Benzoic acid, 2,4,6-trifluoro-3-nitro-, methyl ester

Molecular Formula

C8H4F3NO4

Molecular Mass

235.12

Cite this Page

Benzoic acid, 2,4,6-trifluoro-3-nitro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=125568-72-1 (retrieved 2025-01-01) (CAS RN: 125568-72-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H4F3NO4/c1-16-8(13)5-3(9)2-4(10)7(6(5)11)12(14)15/h2H,1H3

InChIKey

InChIKey=XBZIDFOCYQIFNP-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=C(F)C(N(=O)=O)=C(F)C=C1F

Canonical SMILES

O=C(OC)C1=C(F)C=C(F)C(=C1F)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 2,4,6-trifluoro-3-nitro-, methyl ester
  • Methyl 2,4,6-trifluoro-3-nitrobenzoate

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