Cas no 54495-45-3 (2-{2,6-dinitro-4-(trifluoromethyl)phenylamino}acetic acid)

2-{2,6-dinitro-4-(trifluoromethyl)phenylamino}acetic acid structure
54495-45-3 structure
Product Name:2-{2,6-dinitro-4-(trifluoromethyl)phenylamino}acetic acid
CAS No:54495-45-3
MF:C9H6F3N3O6
MW:309.155652523041
MDL:MFCD00728369
CID:1589432
PubChem ID:2771001
Update Time:2025-04-21

2-{2,6-dinitro-4-(trifluoromethyl)phenylamino}acetic acid Chemical and Physical Properties

Names and Identifiers

    • Glycine, N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-
    • ([2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]AMINO)ACETIC ACID
    • 2-{2,6-dinitro-4-(trifluoromethyl)phenylamino}acetic acid
    • (2,6-dinitro-4-(trifluoromethyl)phenyl)glycine
    • CS-0267962
    • F1905-0014
    • 2-[2,6-dinitro-4-(trifluoromethyl)anilino]acetic acid
    • 2-(2,6-dinitro-4-(trifluoromethyl)phenylamino)acetic acid
    • 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)acetic acid
    • EN300-235953
    • 2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]amino}acetic acid
    • 54495-45-3
    • F1202-0037
    • AKOS002701312
    • MDL: MFCD00728369
    • Inchi: 1S/C9H6F3N3O6/c10-9(11,12)4-1-5(14(18)19)8(13-3-7(16)17)6(2-4)15(20)21/h1-2,13H,3H2,(H,16,17)
    • InChI Key: VIVVLUNDMBFFKM-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C(=C(C=1)[N+](=O)[O-])NCC(=O)O)[N+](=O)[O-])(F)F

Computed Properties

  • Exact Mass: 309.02088
  • Monoisotopic Mass: 309.02086941g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 408
  • 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
  • XLogP3: 2.6
  • Topological Polar Surface Area: 141?2

Experimental Properties

  • PSA: 135.61

2-{2,6-dinitro-4-(trifluoromethyl)phenylamino}acetic acid Pricemore >>

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AV79698-250mg
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