Benzoic acid, 4-nitro-2-(trifluoromethyl)-, methyl ester

CAS Registry Number®

900254-47-9
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CAS Name

Benzoic acid, 4-nitro-2-(trifluoromethyl)-, methyl ester

Molecular Formula

C9H6F3NO4

Molecular Mass

249.14

Cite this Page

Benzoic acid, 4-nitro-2-(trifluoromethyl)-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=900254-47-9 (retrieved 2024-09-07) (CAS RN: 900254-47-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H6F3NO4/c1-17-8(14)6-3-2-5(13(15)16)4-7(6)9(10,11)12/h2-4H,1H3

InChIKey

InChIKey=VMDFHCYVCFQUFV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-nitro-2-(trifluoromethyl)-, methyl ester
  • Methyl 4-nitro-2-(trifluoromethyl)benzoate
  • 4-nitro-2-trifluoromethylbenzoic acid methyl ester