Cas no 512809-45-9 ((4-Chloro-3-methyl-pyrazol-1-yl)-acetic acid ethyl ester)

(4-Chloro-3-methyl-pyrazol-1-yl)-acetic acid ethyl ester structure
512809-45-9 structure
Product Name:(4-Chloro-3-methyl-pyrazol-1-yl)-acetic acid ethyl ester
CAS No:512809-45-9
MF:C8H11ClN2O2
MW:202.638140916824
CID:3058239
PubChem ID:3656854
Update Time:2025-04-21

(4-Chloro-3-methyl-pyrazol-1-yl)-acetic acid ethyl ester Chemical and Physical Properties

Names and Identifiers

    • (4-Chloro-3-methyl-pyrazol-1-yl)-acetic acid ethyl ester
    • 512809-45-9
    • ethyl 2-(4-chloro-3-methylpyrazol-1-yl)acetate
    • AKOS000305839
    • Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate
    • ETHYL 2-(4-CHLORO-3-METHYL-1H-PYRAZOL-1-YL)ACETATE
    • DTXSID101253364
    • STK399767
    • ethyl (4-chloro-3-methyl-1H-pyrazol-1-yl)acetate
    • AK-968/41170222
    • Inchi: 1S/C8H11ClN2O2/c1-3-13-8(12)5-11-4-7(9)6(2)10-11/h4H,3,5H2,1-2H3
    • InChI Key: IRJUZYMBDRZTBA-UHFFFAOYSA-N
    • SMILES: ClC1=CN(CC(=O)OCC)N=C1C

Computed Properties

  • Exact Mass: 202.0509053Da
  • Monoisotopic Mass: 202.0509053Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 189
  • 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: 1.6
  • Topological Polar Surface Area: 44.1?2
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