Cas no 1256360-07-2 (1-(Isopropoxycarbonyl)pyrrole-3-boronic acid, pinacol ester)

1-(Isopropoxycarbonyl)pyrrole-3-boronic acid, pinacol ester structure
1256360-07-2 structure
Product Name:1-(Isopropoxycarbonyl)pyrrole-3-boronic acid, pinacol ester
CAS No:1256360-07-2
MF:C14H22BNO4
MW:279.13978433609
MDL:MFCD16036145
CID:1218342
PubChem ID:53217227
Update Time:2025-04-20

1-(Isopropoxycarbonyl)pyrrole-3-boronic acid, pinacol ester Chemical and Physical Properties

Names and Identifiers

    • Propan-2-yl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-1-carboxylate
    • 1-(ISOPROPOXYCARBONYL)PYRROLE-3-BORONIC ACID, PINACOL ESTER
    • BS-19927
    • 1H-Pyrrole-1-carboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1-methylethyl ester
    • 1256360-07-2
    • ISOPROPYL3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLE-1-CARBOXYLATE
    • CS-0176724
    • SB63969
    • MFCD16036145
    • A890084
    • DTXSID80682328
    • DB-362996
    • ISOPROPYL 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLE-1-CARBOXYLATE
    • 1-(Isopropoxycarbonyl)pyrrole-3-boronic acid pinacol ester
    • Propan-2-yl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-1-carboxylate
    • 1-(Isopropoxycarbonyl)pyrrole-3-boronic acid, pinacol ester
    • MDL: MFCD16036145
    • Inchi: 1S/C14H22BNO4/c1-10(2)18-12(17)16-8-7-11(9-16)15-19-13(3,4)14(5,6)20-15/h7-10H,1-6H3
    • InChI Key: MSGYSVHMKDSIFV-UHFFFAOYSA-N
    • SMILES: O1B(C2C=CN(C(=O)OC(C)C)C=2)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 279.16400
  • Monoisotopic Mass: 279.164
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 367
  • 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: 49.7A^2

Experimental Properties

  • PSA: 49.69000
  • LogP: 2.18040

1-(Isopropoxycarbonyl)pyrrole-3-boronic acid, pinacol ester Pricemore >>

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