Cas no 691363-24-3 (1-(tert-Butyl)-1H-benzoD1,2,3triazole-5-carboxylic Acid)

1-(tert-Butyl)-1H-benzoD1,2,3triazole-5-carboxylic Acid structure
691363-24-3 structure
Product Name:1-(tert-Butyl)-1H-benzoD1,2,3triazole-5-carboxylic Acid
CAS No:691363-24-3
MF:C11H13N3O2
MW:219.239822149277
CID:3038168
PubChem ID:10398515
Update Time:2025-09-20

1-(tert-Butyl)-1H-benzoD1,2,3triazole-5-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 1-tert-Butyl-1,2,3-benzotriazole-5-carboxylic acid
    • SCHEMBL6044120
    • AS-43608
    • BDBM50475626
    • 1-(tert-butyl)-1h-benzo[d][1,2,3]triazole-5-carboxylic acid
    • AKOS009276652
    • 1-tert-butylbenzotriazole-5-carboxylic Acid
    • 1-(t-Butyl)-1H-benzo[d][1,2,3]triazole-5-carboxylic acid
    • MFCD09031738
    • 691363-24-3
    • CHEMBL372727
    • 1-(tert-Butyl)-1H-benzoD1,2,3triazole-5-carboxylic Acid
    • Inchi: 1S/C11H13N3O2/c1-11(2,3)14-9-5-4-7(10(15)16)6-8(9)12-13-14/h4-6H,1-3H3,(H,15,16)
    • InChI Key: PIEIBXKCDFTGNA-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC2=C(C=1)N=NN2C(C)(C)C)=O

Computed Properties

  • Exact Mass: 219.100776666Da
  • Monoisotopic Mass: 219.100776666Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 287
  • 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
  • XLogP3: 1.5
  • Topological Polar Surface Area: 68?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 417.8±18.0 °C at 760 mmHg
  • Flash Point: 206.5±21.2 °C
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

1-(tert-Butyl)-1H-benzoD1,2,3triazole-5-carboxylic Acid Security Information

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