Benzoic acid, 5-fluoro-2-methyl-3-nitro-, methyl ester

CAS Registry Number®

697739-03-0
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CAS Name

Benzoic acid, 5-fluoro-2-methyl-3-nitro-, methyl ester

Molecular Formula

C9H8FNO4

Molecular Mass

213.16

Cite this Page

Benzoic acid, 5-fluoro-2-methyl-3-nitro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=697739-03-0 (retrieved 2024-08-17) (CAS RN: 697739-03-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    69 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H8FNO4/c1-5-7(9(12)15-2)3-6(10)4-8(5)11(13)14/h3-4H,1-2H3

InChIKey

InChIKey=QOEAMLSLLJPIRF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OC)C1=CC(F)=CC(=C1C)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 5-fluoro-2-methyl-3-nitro-, methyl ester
  • Methyl 5-fluoro-2-methyl-3-nitrobenzoate
  • 5-Fluoro-2-methyl-3-nitrobenzoic acid methyl ester
  • Methyl 2-methyl-5-fluoro-3-nitrobenzoate