Cas no 1001519-10-3 (1-(2-chloro-6-fluorophenyl)methyl-3-isothiocyanato-5-methyl-1H-pyrazole)

1-(2-chloro-6-fluorophenyl)methyl-3-isothiocyanato-5-methyl-1H-pyrazole structure
1001519-10-3 structure
Product Name:1-(2-chloro-6-fluorophenyl)methyl-3-isothiocyanato-5-methyl-1H-pyrazole
CAS No:1001519-10-3
MF:C12H9ClFN3S
MW:281.736363172531
MDL:MFCD05667163
CID:2857104
PubChem ID:7018563
Update Time:2025-04-21

1-(2-chloro-6-fluorophenyl)methyl-3-isothiocyanato-5-methyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • AKOS B022795
    • ART-CHEM-BB B022795
    • 1-(2-CHLORO-6-FLUORO-BENZYL)-3-ISOTHIOCYANATO-5-METHYL-1H-PYRAZOLE
    • 1-(2-chloro-6-fluorophenyl)methyl-3-isothiocyanato-5-methyl-1H-pyrazole
    • STK312760
    • 1001519-10-3
    • 1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanato-5-methyl-1H-pyrazole
    • SCHEMBL633307
    • AKOS000311429
    • 1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanato-5-methylpyrazole
    • BBL038938
    • 1-[(2-chloro-6-fluoro-phenyl)methyl]-3-isothiocyanato-5-methyl-pyrazole
    • EN300-229977
    • MDL: MFCD05667163
    • Inchi: 1S/C12H9ClFN3S/c1-8-5-12(15-7-18)16-17(8)6-9-10(13)3-2-4-11(9)14/h2-5H,6H2,1H3
    • InChI Key: BARMZCOMRCCNLP-UHFFFAOYSA-N
    • SMILES: ClC1C=CC=C(C=1CN1C(C)=CC(N=C=S)=N1)F

Computed Properties

  • Exact Mass: 281.0189743Da
  • Monoisotopic Mass: 281.0189743Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 337
  • 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: 4.7
  • Topological Polar Surface Area: 62.3?2

1-(2-chloro-6-fluorophenyl)methyl-3-isothiocyanato-5-methyl-1H-pyrazole Pricemore >>

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