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88405-42-9 | Benzaldehyde, 4-(4,5-dihydro-3,5,5-triphenyl-1H-pyrazol-1-yl)-
CAS No: 88405-42-9 Catalog No: AG004I8W MDL No:
Product Description
Catalog Number:
AG004I8W
Chemical Name:
Benzaldehyde, 4-(4,5-dihydro-3,5,5-triphenyl-1H-pyrazol-1-yl)-
CAS Number:
88405-42-9
Molecular Formula:
C28H22N2O
Molecular Weight:
402.4871
IUPAC Name:
4-(3,5,5-triphenyl-4H-pyrazol-1-yl)benzaldehyde
InChI:
InChI=1S/C28H22N2O/c31-21-22-16-18-26(19-17-22)30-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)20-27(29-30)23-10-4-1-5-11-23/h1-19,21H,20H2
InChI Key:
OQYPVEMHOQIBOL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N1N=C(CC1(c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
599
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.173g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.497g/mol
Monoisotopic Mass:
402.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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