Cas no 114151-54-1 (2,3,6-Trifluoro-5-nitrobenzoic acid)

2,3,6-Trifluoro-5-nitrobenzoic acid structure
114151-54-1 structure
Product Name:2,3,6-Trifluoro-5-nitrobenzoic acid
CAS No:114151-54-1
MF:C7H2F3NO4
MW:221.090292453766
MDL:MFCD28346292
CID:2102224
PubChem ID:15631828
Update Time:2024-11-04

2,3,6-Trifluoro-5-nitrobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2,3,6-trifluoro-5-nitro-
    • 2,3,6-TRIFLUORO-5-NITROBENZOIC ACID
    • QYEARBVAXUPCMX-UHFFFAOYSA-N
    • 2,5,6-trifluoro-3-nitrobenzoic acid
    • AKOS024091848
    • 2,3,6-TRIFLUORO-5-NITROBENZOICACID
    • 3-Nitro-2,5,6-trifluorobenzoic acid
    • AS-63294
    • 114151-54-1
    • MFCD28346292
    • W13486
    • SCHEMBL10472811
    • 2,3,6-Trifluoro-5-nitrobenzoic acid
    • MDL: MFCD28346292
    • Inchi: 1S/C7H2F3NO4/c8-2-1-3(11(14)15)6(10)4(5(2)9)7(12)13/h1H,(H,12,13)
    • InChI Key: QYEARBVAXUPCMX-UHFFFAOYSA-N
    • SMILES: FC1C(=CC(=C(C=1C(=O)O)F)F)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 220.99359203g/mol
  • Monoisotopic Mass: 220.99359203g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 282
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 83.1
  • XLogP3: 1.6

2,3,6-Trifluoro-5-nitrobenzoic acid Pricemore >>

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