5-(2-Bromo-5-fluorophenyl)-1-(1,1-dimethylethyl)-4-iodo-1H-pyrazole

CAS Registry Number®

1245643-25-7
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CAS Name

5-(2-Bromo-5-fluorophenyl)-1-(1,1-dimethylethyl)-4-iodo-1H-pyrazole

Molecular Formula

C13H13BrFIN2

Molecular Mass

423.06

Cite this Page

5-(2-Bromo-5-fluorophenyl)-1-(1,1-dimethylethyl)-4-iodo-1H-pyrazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1245643-25-7 (retrieved 2024-08-12) (CAS RN: 1245643-25-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H13BrFIN2/c1-13(2,3)18-12(11(16)7-17-18)9-6-8(15)4-5-10(9)14/h4-7H,1-3H3

InChIKey

InChIKey=WGWGNEHGEINCNJ-UHFFFAOYSA-N

SMILES

C(C)(C)(C)N1C(=C(I)C=N1)C2=C(Br)C=CC(F)=C2

Canonical SMILES

FC=1C=CC(Br)=C(C1)C2=C(I)C=NN2C(C)(C)C

Other Names for this Substance

  • 1H-Pyrazole, 5-(2-bromo-5-fluorophenyl)-1-(1,1-dimethylethyl)-4-iodo-
  • 5-(2-Bromo-5-fluorophenyl)-1-(1,1-dimethylethyl)-4-iodo-1H-pyrazole