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Home Aldehydes 3-(4-Chlorophenyl)-1-phenyl-1h-pyrazole-4-carbaldehyde

3-(4-Chlorophenyl)-1-phenyl-1h-pyrazole-4-carbaldehyde

CAS No.:
36663-00-0
Catalog Number:
AG0078S6
Molecular Formula:
C16H11ClN2O
Molecular Weight:
282.7243
Pack Size
Purity
Availability
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Price(USD)
Quantity
  
1g
95%
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United States
$168
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Product Description
Catalog Number:
AG0078S6
Chemical Name:
3-(4-Chlorophenyl)-1-phenyl-1h-pyrazole-4-carbaldehyde
CAS Number:
36663-00-0
Molecular Formula:
C16H11ClN2O
Molecular Weight:
282.7243
MDL Number:
MFCD01921072
IUPAC Name:
3-(4-chlorophenyl)-1-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C16H11ClN2O/c17-14-8-6-12(7-9-14)16-13(11-20)10-19(18-16)15-4-2-1-3-5-15/h1-11H
InChI Key:
FTUHJYUSTWIPBN-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1ccc(cc1)Cl)c1ccccc1
EC Number:
253-151-1
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.056g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.727g/mol
Monoisotopic Mass:
282.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
3-(4-Chloro-phen-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde. Acta crystallographica. Section E, Structure reports online 20110701
Properties