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108446-64-6 | 3-BIPHENYL-4-YL-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
CAS No: 108446-64-6 Catalog No: AG008ZF6 MDL No:MFCD02705607
Product Description
Catalog Number:
AG008ZF6
Chemical Name:
3-BIPHENYL-4-YL-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
CAS Number:
108446-64-6
Molecular Formula:
C22H16N2O
Molecular Weight:
324.3752
MDL Number:
MFCD02705607
IUPAC Name:
1-phenyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C22H16N2O/c25-16-20-15-24(21-9-5-2-6-10-21)23-22(20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-16H
InChI Key:
JSKTXJPVXSIUIE-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1ccc(cc1)c1ccccc1)c1ccccc1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.126g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.383g/mol
Monoisotopic Mass:
324.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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