1-(4-Bromophenyl)-3-(4-chlorophenyl)pyrazole-4-propionic acid - CAS 870704-03-3
Catalog: |
BB038220 |
Product Name: |
1-(4-Bromophenyl)-3-(4-chlorophenyl)pyrazole-4-propionic acid |
CAS: |
870704-03-3 |
Synonyms: |
3-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]propanoic acid |
IUPAC Name: | 3-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]propanoic acid |
Description: | 1-(4-Bromophenyl)-3-(4-chlorophenyl)pyrazole-4-propionic acid (CAS# 870704-03-3) is a useful research chemical. |
Molecular Weight: | 405.67 |
Molecular Formula: | C18H14BrClN2O2 |
Canonical SMILES: | C1=CC(=CC=C1C2=NN(C=C2CCC(=O)O)C3=CC=C(C=C3)Br)Cl |
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) |
InChI Key: | CRCKLQOTWRGUSH-UHFFFAOYSA-N |
Boiling Point: | 564 °C at 760 mmHg |
Density: | 1.5 g/cm3 |
Appearance: | White to brown solid |
LogP: | 4.97240 |
Publication Number | Title | Priority Date |
EP-2176228-A1 | Novel pyrazole derivatives useful as potassium channel modulators | 20070704 |
JP-2010531841-A | Novel pyrazole derivatives useful as potassium channel modulators | 20070704 |
US-2010179203-A1 | Novel pyrazole derivatives useful as potassium channel modulators | 20070704 |
WO-2009003921-A1 | Novel pyrazole derivatives useful as potassium channel modulators | 20070704 |
Complexity: | 423 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 403.99272 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 403.99272 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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