Cas no 284660-86-2 (2-Methoxycarbonylindole-5-boronic acid)

2-Methoxycarbonylindole-5-boronic acid structure
284660-86-2 structure
Product Name:2-Methoxycarbonylindole-5-boronic acid
CAS No:284660-86-2
MF:C10H10BNO4
MW:219.001702785492
MDL:MFCD09751354
CID:1025321
PubChem ID:21014347
Update Time:2025-04-20

2-Methoxycarbonylindole-5-boronic acid Chemical and Physical Properties

Names and Identifiers

    • (2-(Methoxycarbonyl)-1H-indol-5-yl)boronic acid
    • (2-methoxycarbonyl-1H-indol-5-yl)boronic acid
    • 2-Methoxycarbonylindole-5-boronic acid
    • methyl 5-boronyl-indole-2-carboxylate
    • 2-Methoxycarbonylindole-5-boronicacid
    • [2-(Methoxycarbonyl)-1H-indol-5-yl]boronic acid
    • 1H-Indole-2-carboxylic acid, 5-borono-, 2-methyl ester
    • AX8228053
    • CS-0035811
    • EN300-6472914
    • AKOS016005937
    • AKOS022186578
    • DB-004066
    • SCHEMBL2735973
    • AKOS022171444
    • DS-12546
    • AKOS022186589
    • (2-(Methoxycarbonyl)-1H-indol-5-yl)boronicacid
    • MFCD09751354
    • DTXSID10610194
    • W16775
    • 284660-86-2
    • MDL: MFCD09751354
    • Inchi: 1S/C10H10BNO4/c1-16-10(13)9-5-6-4-7(11(14)15)2-3-8(6)12-9/h2-5,12,14-15H,1H3
    • InChI Key: CCQSNIWHVJIPJQ-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC2C=C(B(O)O)C=CC=2N1)=O

Computed Properties

  • Exact Mass: 219.07000
  • Monoisotopic Mass: 219.0702880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 274
  • 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: 82.6

Experimental Properties

  • Boiling Point: 484.2°C at 760 mmHg
  • PSA: 82.55000
  • LogP: -0.36570

2-Methoxycarbonylindole-5-boronic acid Security Information

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