Cas no 1199773-67-5 (Tert-Butyl 2-(4-bromo-1H-pyrazol-1-yl)acetate)

Tert-Butyl 2-(4-bromo-1H-pyrazol-1-yl)acetate structure
1199773-67-5 structure
Product Name:Tert-Butyl 2-(4-bromo-1H-pyrazol-1-yl)acetate
CAS No:1199773-67-5
MF:C9H13BrN2O2
MW:261.115721464157
MDL:MFCD13193178
CID:2131915
PubChem ID:70847699
Update Time:2024-11-03

Tert-Butyl 2-(4-bromo-1H-pyrazol-1-yl)acetate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 2-(4-Bromo-1H-pyrazol-1-yl)acetate
    • YXXOBOFWHNUWGT-UHFFFAOYSA-N
    • 1H-Pyrazole-1-acetic acid, 4-bromo-, 1,1-dimethylethyl ester
    • AK543832
    • tert-butyl 2-(4-bromopyrazol-1-yl)acetate
    • tert-butyl[4-bromo-1H-pyrazol-1-yl]acetate
    • tert-Butyl [4-bromo-1H-pyrazol-1-yl]acetate
    • DB-371815
    • A1-01126
    • tert-Butyl2-(4-bromo-1H-pyrazol-1-yl)acetate
    • SCHEMBL13172593
    • tert-Butyl 4-Bromopyrazole-1-acetate
    • MFCD13193178
    • DS-19254
    • 1199773-67-5
    • CS-0149762
    • ZXB77367
    • AKOS030524049
    • SY289699
    • C71674
    • F2147-7263
    • Tert-Butyl 2-(4-bromo-1H-pyrazol-1-yl)acetate
    • MDL: MFCD13193178
    • Inchi: 1S/C9H13BrN2O2/c1-9(2,3)14-8(13)6-12-5-7(10)4-11-12/h4-5H,6H2,1-3H3
    • InChI Key: YXXOBOFWHNUWGT-UHFFFAOYSA-N
    • SMILES: BrC1C=NN(C=1)CC(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 260.01604g/mol
  • Monoisotopic Mass: 260.01604g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 215
  • 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: 44.1
  • XLogP3: 1.9

Tert-Butyl 2-(4-bromo-1H-pyrazol-1-yl)acetate Pricemore >>

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