Cas no 887576-98-9 (6-(Trifluoromethyl)-1H-indazole-3-carboxylic acid)

6-(Trifluoromethyl)-1H-indazole-3-carboxylic acid structure
887576-98-9 structure
Product Name:6-(Trifluoromethyl)-1H-indazole-3-carboxylic acid
CAS No:887576-98-9
MF:C9H5F3N2O2
MW:230.143412351608
MDL:MFCD03840715
CID:873795
PubChem ID:40424302
Update Time:2024-10-26

6-(Trifluoromethyl)-1H-indazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-(Trifluoromethyl)-1H-indazole-3-carboxylic acid
    • 6-Trifluoromethyl-1H-indazole-3-carboxylic acid
    • 6-(Trifluoromethyl)-1H-indazole-3-carboxylic acid (ACI)
    • 6-TRIFLUORO-3-INDAZOLE-CARBOXYLIC ACID
    • J-518122
    • 6-(Trifluoromethyl)1H-indazole-3-carboxylic acid
    • DTXSID90654137
    • 887576-98-9
    • CS-0187178
    • AS-35802
    • PUNYEWFCUQQVCA-UHFFFAOYSA-N
    • AB16524
    • AKOS015960794
    • MFCD03840715
    • SCHEMBL10253511
    • SY346882
    • DB-078162
    • 6-(Trifluoromethyl)-1H-indazole-3-carboxylicacid
    • MDL： MFCD03840715
    • Inchi： 1S/C9H5F3N2O2/c10-9(11,12)4-1-2-5-6(3-4)13-14-7(5)8(15)16/h1-3H,(H,13,14)(H,15,16)
    • InChI Key： PUNYEWFCUQQVCA-UHFFFAOYSA-N
    • SMILES： O=C(C1C2C(=CC(C(F)(F)F)=CC=2)NN=1)O

Computed Properties

  • Exact Mass: 230.03031189g/mol
  • Monoisotopic Mass: 230.03031189g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 295
  • 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: 2.3
  • Topological Polar Surface Area: 66?2

Experimental Properties

  • Density: 1.63
  • Boiling Point: 419.5°C at 760 mmHg
  • Flash Point: 207.5°C
  • Refractive Index: 1.603
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

6-(Trifluoromethyl)-1H-indazole-3-carboxylic acid Security Information

6-(Trifluoromethyl)-1H-indazole-3-carboxylic acid Pricemore >>

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