1-[(2-Chloro-4-fluorophenyl)methyl]-4-isothiocyanato-3,5-dimethyl-1H-pyrazole

CAS Registry Number®

1004193-38-7
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CAS Name

1-[(2-Chloro-4-fluorophenyl)methyl]-4-isothiocyanato-3,5-dimethyl-1H-pyrazole

Molecular Formula

C13H11ClFN3S

Molecular Mass

295.76

Cite this Page

1-[(2-Chloro-4-fluorophenyl)methyl]-4-isothiocyanato-3,5-dimethyl-1H-pyrazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1004193-38-7 (retrieved 2024-08-25) (CAS RN: 1004193-38-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H11ClFN3S/c1-8-13(16-7-19)9(2)18(17-8)6-10-3-4-11(15)5-12(10)14/h3-5H,6H2,1-2H3

InChIKey

InChIKey=NGAMAYRKUNYTSQ-UHFFFAOYSA-N

SMILES

C(N1C(C)=C(N=C=S)C(C)=N1)C2=C(Cl)C=C(F)C=C2

Canonical SMILES

FC1=CC=C(C(Cl)=C1)CN2N=C(C(N=C=S)=C2C)C

Other Names for this Substance

  • 1H-Pyrazole, 1-[(2-chloro-4-fluorophenyl)methyl]-4-isothiocyanato-3,5-dimethyl-
  • 1-[(2-Chloro-4-fluorophenyl)methyl]-4-isothiocyanato-3,5-dimethyl-1H-pyrazole