3-Nitro-5-(1,1,2,2,2-pentafluoroethyl)benzoic acid

CAS Registry Number®

1229625-32-4
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CAS Name

3-Nitro-5-(1,1,2,2,2-pentafluoroethyl)benzoic acid

Molecular Formula

C9H4F5NO4

Molecular Mass

285.12

Cite this Page

3-Nitro-5-(1,1,2,2,2-pentafluoroethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1229625-32-4 (retrieved 2024-07-27) (CAS RN: 1229625-32-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H4F5NO4/c10-8(11,9(12,13)14)5-1-4(7(16)17)2-6(3-5)15(18)19/h1-3H,(H,16,17)

InChIKey

InChIKey=UNKSJSVNXJVKFV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C=1C=C(C=C(C1)C(F)(F)C(F)(F)F)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 3-nitro-5-(1,1,2,2,2-pentafluoroethyl)-
  • 3-Nitro-5-(1,1,2,2,2-pentafluoroethyl)benzoic acid
  • 3-Nitro-5-(pentafluoroethyl)benzoic acid