Cas no 875558-27-3 (2-borono-6-(trifluoromethyl)-1H-indole-1-carboxylic acid-1-(1,1-dimethylethyl) ester)

2-borono-6-(trifluoromethyl)-1H-indole-1-carboxylic acid-1-(1,1-dimethylethyl) ester structure
875558-27-3 structure
Product Name:2-borono-6-(trifluoromethyl)-1H-indole-1-carboxylic acid-1-(1,1-dimethylethyl) ester
CAS No:875558-27-3
MF:C14H15BF3NO4
MW:329.079414606094
CID:709809
PubChem ID:57975521
Update Time:2025-04-19

2-borono-6-(trifluoromethyl)-1H-indole-1-carboxylic acid-1-(1,1-dimethylethyl) ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-1-carboxylicacid, 2-borono-6-(trifluoromethyl)-, 1-(1,1-dimethylethyl) ester (9CI)
    • 1H-Indole-1-carboxylic acid, 2-borono-6-(trifluoromethyl)-, 1-(1,1-dimethylethyl) ester
    • [1-(tert-butoxycarbonyl)-6-(trifluoromethyl)-1H-indol-2-yl]boronic acid
    • 2-borono-6-(trifluoromethyl)-1H-indole-1-carboxylic acid-1-(1,1-dimethylethyl) ester
    • 1H-Indole-1-carboxylic acid, 2-borono-6-(trifluoromethyl)-, 1-(1,1-dimethylethyl) ester (9CI)
    • (1-(tert-butoxycarbonyl)-6-(trifluoromethyl)-1H-indol-2-yl)boronic acid
    • 1H-Indole-1-carboxylic acid,2-borono-6-(trifluoromethyl)-,1-(1,1-dimethylethyl)ester
    • SCHEMBL3249850
    • [1-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)indol-2-yl]boronic acid
    • 875558-27-3
    • FXNZYZHHJULUHU-UHFFFAOYSA-N
    • Inchi: 1S/C14H15BF3NO4/c1-13(2,3)23-12(20)19-10-7-9(14(16,17)18)5-4-8(10)6-11(19)15(21)22/h4-7,21-22H,1-3H3
    • InChI Key: FXNZYZHHJULUHU-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC2C=C(B(O)O)N(C(=O)OC(C)(C)C)C=2C=1)(F)F

Computed Properties

  • Exact Mass: 329.10500
  • Monoisotopic Mass: 329.1046226g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 5
  • Complexity: 452
  • 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: 71.7?2

Experimental Properties

  • Density: 1.3
  • Boiling Point: 447.2°C at 760 mmHg
  • Flash Point: 224.2°C
  • Refractive Index: 1.505
  • PSA: 71.69000
  • LogP: 2.12310

2-borono-6-(trifluoromethyl)-1H-indole-1-carboxylic acid-1-(1,1-dimethylethyl) ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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NAN JING YAO SHI KE JI GU FEN Co., Ltd.
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A1382464-100mg
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Ambeed
A1382464-250mg
(1-(tert-Butoxycarbonyl)-6-(trifluoromethyl)-1H-indol-2-yl)boronic acid
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