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210825-08-4

210825-08-4 | 1H-Pyrazole-4-carboxaldehyde, 3-(5-methyl-2-furanyl)-1-phenyl-

CAS No: 210825-08-4 Catalog No: AG002KZ7 MDL No:MFCD01828983

Product Description

Catalog Number:
AG002KZ7
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 3-(5-methyl-2-furanyl)-1-phenyl-
CAS Number:
210825-08-4
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
MDL Number:
MFCD01828983
IUPAC Name:
3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C15H12N2O2/c1-11-7-8-14(19-11)15-12(10-18)9-17(16-15)13-5-3-2-4-6-13/h2-10H,1H3
InChI Key:
SSPIACVNXSPAPC-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1ccc(o1)C)c1ccccc1

Properties

Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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

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