1-(4-Bromophenyl)-3-(4-chlorophenyl)-1H-pyrazole-4-propanoic acid

CAS Registry Number®

870704-03-3

CAS Name

1-(4-Bromophenyl)-3-(4-chlorophenyl)-1H-pyrazole-4-propanoic acid

Molecular Formula

C18H14BrClN2O2

Molecular Mass

405.67

Cite this Page

1-(4-Bromophenyl)-3-(4-chlorophenyl)-1H-pyrazole-4-propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=870704-03-3 (retrieved 2024-11-25) (CAS RN: 870704-03-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    143 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H14BrClN2O2/c19-14-4-8-16(9-5-14)22-11-13(3-10-17(23)24)18(21-22)12-1-6-15(20)7-2-12/h1-2,4-9,11H,3,10H2,(H,23,24)

InChIKey

InChIKey=CRCKLQOTWRGUSH-UHFFFAOYSA-N

SMILES

C(CC(O)=O)C=1C(=NN(C1)C2=CC=C(Br)C=C2)C3=CC=C(Cl)C=C3

Canonical SMILES

O=C(O)CCC1=CN(N=C1C=2C=CC(Cl)=CC2)C3=CC=C(Br)C=C3

Other Names for this Substance

  • 1H-Pyrazole-4-propanoic acid, 1-(4-bromophenyl)-3-(4-chlorophenyl)-
  • 1-(4-Bromophenyl)-3-(4-chlorophenyl)-1H-pyrazole-4-propanoic acid
  • 3-(1-(4-Bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl)propanoic acid

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