Cas no 953411-03-5 (2-borono-1H-indole-1,4-dicarboxylic acid-1-(1,1-dimethylethyl) 4-methyl ester)

2-borono-1H-indole-1,4-dicarboxylic acid-1-(1,1-dimethylethyl) 4-methyl ester structure
953411-03-5 structure
Product Name:2-borono-1H-indole-1,4-dicarboxylic acid-1-(1,1-dimethylethyl) 4-methyl ester
CAS No:953411-03-5
MF:C15H18BNO6
MW:319.117524623871
CID:802627
PubChem ID:57356917
Update Time:2025-04-19

2-borono-1H-indole-1,4-dicarboxylic acid-1-(1,1-dimethylethyl) 4-methyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-1,4-dicarboxylicacid, 2-borono-, 1-(1,1-dimethylethyl) 4-methyl ester
    • [4-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
    • 2-BORONO-1H-INDOLE-1,4-DICARBOXYLIC ACID TERT-BUTYL 4-METHYL ESTER
    • 2-borono-1H-indole-1,4-dicarboxylic acid-1-(1,1-dimethylethyl) 4-methyl ester
    • 1H-Indole-1,4-dicarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) 4-methyl ester
    • DTXSID80723487
    • 953411-03-5
    • [1-(tert-Butoxycarbonyl)-4-(methoxycarbonyl)-1H-indol-2-yl]boronic acid
    • 1H-Indole-1,4-dicarboxylic acid,2-borono-,1-(1,1-dimethylethyl)4-methyl ester
    • SCHEMBL759757
    • (1-(tert-Butoxycarbonyl)-4-(methoxycarbonyl)-1H-indol-2-yl)boronic acid
    • Inchi: 1S/C15H18BNO6/c1-15(2,3)23-14(19)17-11-7-5-6-9(13(18)22-4)10(11)8-12(17)16(20)21/h5-8,20-21H,1-4H3
    • InChI Key: WNDIMVXXLXLEPA-UHFFFAOYSA-N
    • SMILES: O(C(N1C(B(O)O)=CC2C(C(=O)OC)=CC=CC1=2)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 319.12300
  • Monoisotopic Mass: 319.1227175g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 6
  • Complexity: 463
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 98?2

Experimental Properties

  • Density: 1.24
  • Boiling Point: 501.6°C at 760 mmHg
  • Flash Point: 257.1°C
  • Refractive Index: 1.546
  • PSA: 97.99000
  • LogP: 0.89090

2-borono-1H-indole-1,4-dicarboxylic acid-1-(1,1-dimethylethyl) 4-methyl ester Pricemore >>

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