Cas no 177941-16-1 (5-Benzyloxy-1H-indazole-3-carboxylic acid)

5-Benzyloxy-1H-indazole-3-carboxylic acid structure
177941-16-1 structure
Product Name:5-Benzyloxy-1H-indazole-3-carboxylic acid
CAS No:177941-16-1
MF:C15H12N2O3
MW:268.267383575439
MDL:MFCD05663991
CID:66087
PubChem ID:22567328
Update Time:2025-04-18

5-Benzyloxy-1H-indazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Benzyloxy-1H-indazole-3-carboxylic acid
    • 5-(benzyloxy)-1H-indazole-3-carboxylic acid
    • 5-phenylmethoxy-1H-indazole-3-carboxylic acid
    • -Benzyloxy-1H-indazole-3-carboxylic acid
    • 1H-5-benzyloxyindazole-3-carboxylic acid
    • 1H-Indazole-3-carboxylic acid,5-(phenylmethoxy)
    • 5-Benzyloxy (1H)indazole-3-carboxylic acid
    • 5-benzyloxy-1H-indole-3-carboxylicacid
    • 1H-Indazole-3-carboxylic acid, 5-(phenylmethoxy)-
    • A3946
    • AM20120486
    • AKOS015839391
    • 1H-Indazole-3-carboxylicacid, 5-(phenylmethoxy)-
    • 5-Benzyloxy-1H-indazole-3-carboxylicacid
    • DTXSID60626548
    • CS-0328492
    • SCHEMBL492695
    • NQAATCGJMPDXHK-UHFFFAOYSA-N
    • MFCD05663991
    • 177941-16-1
    • AB22143
    • SY355772
    • G82745
    • MDL: MFCD05663991
    • Inchi: 1S/C15H12N2O3/c18-15(19)14-12-8-11(6-7-13(12)16-17-14)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)(H,18,19)
    • InChI Key: NQAATCGJMPDXHK-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1C=CC2=C(C(C(=O)O)=NN2)C=1

Computed Properties

  • Exact Mass: 268.08500
  • Monoisotopic Mass: 268.085
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 344
  • 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: 75.2A^2
  • XLogP3: 2.9

Experimental Properties

  • Density: 1.395
  • Boiling Point: 544.727 °C at 760 mmHg
  • Flash Point: 544.727 °C at 760 mmHg
  • Refractive Index: 1.705
  • PSA: 75.21000
  • LogP: 2.84010

5-Benzyloxy-1H-indazole-3-carboxylic acid Security Information

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