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108446-79-3,MFCD02714772
Catalog No.:AA003I19
108446-79-3 | 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]propanoic acid
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1g
≥ 98% (HPLC)
1 week  
$213.00   $149.00
- +
5g
≥ 98% (HPLC)
1 week  
$661.00   $463.00
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10g
≥ 98% (HPLC)
1 week  
$1,206.00   $844.00
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Technical Information
Catalog Number:
AA003I19
Chemical Name:
3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]propanoic acid
CAS Number:
108446-79-3
Molecular Formula:
C18H15ClN2O2
Molecular Weight:
326.7769
MDL Number:
MFCD02714772
IUPAC Name:
3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]propanoic acid
InChI:
InChI=1S/C18H15ClN2O2/c19-15-9-6-13(7-10-15)18-14(8-11-17(22)23)12-21(20-18)16-4-2-1-3-5-16/h1-7,9-10,12H,8,11H2,(H,22,23)
InChI Key:
VMLJRLMYIOMLFC-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cn(nc1c1ccc(cc1)Cl)c1ccccc1
Properties
Computed Properties
 
Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.082g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
326.78g/mol
Monoisotopic Mass:
326.082g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Synonyms
 
108446-79-3 
3-(4-Chlorophenyl)-1-phenylpyrazole-4-propionic acid 
5179AH 
MFCD02714772 
ZINC25761644 
AKOS027393696 
RT-019440 
A-7825 
J-002144 
1H-Pyrazole-4-propanoicacid, 3-(4-chlorophenyl)-1-phenyl- 
3-(4-Chlorophenyl)-1-phenylpyrazole-4-propionic acid, 97% 
beta-[3-(p-Chlorophenyl)-1-phenylpyrazol-4-yl]propionic acid 
3-(3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)propanoic acid 
C18H15ClN2O2 
3-[3-(4-CHLOROPHENYL)-1-PHENYLPYRAZOL-4-YL]PROPANOIC ACID 
3-[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]propanoic acid 
VMLJRLMYIOMLFC-UHFFFAOYSA-N 
ACMC-20ank9 
Oprea1_223252 
CTK0H2720 
DTXSID50546069 
Literature
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