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Home Aldehydes 1-benzyl-3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde

1-benzyl-3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde

CAS No.:
956783-07-6
Catalog Number:
AG019NT2
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
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Product Description
Catalog Number:
AG019NT2
Chemical Name:
1-benzyl-3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
956783-07-6
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
MDL Number:
MFCD03422379
IUPAC Name:
1-benzyl-3-(4-methylphenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C18H16N2O/c1-14-7-9-16(10-8-14)18-17(13-21)12-20(19-18)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3
InChI Key:
DXDSVGUXUANIKU-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1ccc(cc1)C)Cc1ccccc1
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties