Cas no 100811-91-4 (Benzoic acid,5-amino-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-)

Benzoic acid,5-amino-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]- structure
100811-91-4 structure
Product Name:Benzoic acid,5-amino-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-
CAS No:100811-91-4
MF:C10H7F6NO3
MW:303.157903909683
CID:195902
PubChem ID:58033
Update Time:2025-04-19

Benzoic acid,5-amino-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,5-amino-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-
    • 5-amino-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzoic acid
    • 5-Amino-2((1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl)benzoic acid
    • 5-Amino-2-(2-hydroxy-1,1,1,3,3,3-hexafluoro-2-propyl)benzoic acid
    • AC1L1O6K
    • AC1Q4IFS
    • BENZOIC ACID, 5-AMINO-2-(2-HYDROXY-1,1,1,3,3,3-HEXAFLUORO-2-PROPYL)-
    • LS-35874
    • NSC160219
    • NSC-160219
    • Benzoic acid, 5-amino-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-
    • 100811-91-4
    • DTXSID30143530
    • Inchi： 1S/C10H7F6NO3/c11-9(12,13)8(20,10(14,15)16)6-2-1-4(17)3-5(6)7(18)19/h1-3,20H,17H2,(H,18,19)
    • InChI Key： ATYXPTXSXDFIEM-UHFFFAOYSA-N
    • SMILES： FC(C(C(F)(F)F)(C1C=CC(=CC=1C(=O)O)N)O)(F)F

Computed Properties

  • Exact Mass: 303.03301
  • Monoisotopic Mass: 303.033012
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 366
  • 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: 83.6
  • XLogP3: 2

Experimental Properties

  • Density: 1.641
  • Boiling Point: 414.3°Cat760mmHg
  • Flash Point: 204.4°C
  • Refractive Index: 1.492
  • PSA: 83.55
  • LogP: 2.86040

Benzoic acid,5-amino-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]- Related Literature

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