Cas no 1005697-69-7 (2-(4-bromo-1H-pyrazol-1-yl)butanoic acid)

2-(4-bromo-1H-pyrazol-1-yl)butanoic acid structure
1005697-69-7 structure
Product Name:2-(4-bromo-1H-pyrazol-1-yl)butanoic acid
CAS No:1005697-69-7
MF:C7H9BrN2O2
MW:233.062560796738
MDL:MFCD04967810
CID:3058364
PubChem ID:17024720
Update Time:2025-04-21

2-(4-bromo-1H-pyrazol-1-yl)butanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Bromo-pyrazol-1-yl)-butyric acid
    • 2-(4-Bromo-1H-pyrazol-1-yl)butanoic acid
    • AKOS000306635
    • 1H-Pyrazole-1-acetic acid, 4-bromo-alpha-ethyl-
    • BBL038944
    • 2-(4-bromopyrazol-1-yl)butanoic acid
    • CS-0034347
    • EN300-83671
    • FS-1855
    • 1H-Pyrazole-1-acetic acid, 4-bromo--ethyl-
    • STK312767
    • MFCD04967810
    • FQB69769
    • 1005697-69-7
    • 2-(4-bromo-1H-pyrazol-1-yl)butanoic acid
    • MDL： MFCD04967810
    • Inchi： 1S/C7H9BrN2O2/c1-2-6(7(11)12)10-4-5(8)3-9-10/h3-4,6H,2H2,1H3,(H,11,12)
    • InChI Key： YEHBONHWZVDARH-UHFFFAOYSA-N
    • SMILES： BrC1C=NN(C=1)C(C(=O)O)CC

Computed Properties

  • Exact Mass: 231.98474g/mol
  • Monoisotopic Mass: 231.98474g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 177
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 233.06g/mol
  • XLogP3: 1.5
  • Topological Polar Surface Area: 55.1?2

2-(4-bromo-1H-pyrazol-1-yl)butanoic acid Pricemore >>

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