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68426-71-1 | 1H-Pyrazole-4-carboxaldehyde, 1,3,5-triphenyl-
CAS No: 68426-71-1 Catalog No: AG005QEF MDL No:
Product Description
Catalog Number:
AG005QEF
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 1,3,5-triphenyl-
CAS Number:
68426-71-1
Molecular Formula:
C22H16N2O
Molecular Weight:
324.3752
IUPAC Name:
1,3,5-triphenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C22H16N2O/c25-16-20-21(17-10-4-1-5-11-17)23-24(19-14-8-3-9-15-19)22(20)18-12-6-2-7-13-18/h1-16H
InChI Key:
NWPWGORXCFKYJH-UHFFFAOYSA-N
SMILES:
O=Cc1c(nn(c1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
422
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:
4.7
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