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17416-51-2 | 2-Pyrazoline, 3,4-dibenzoyl-5-phenyl- (8CI)
CAS No: 17416-51-2 Catalog No: AG001ZI5 MDL No:
Product Description
Catalog Number:
AG001ZI5
Chemical Name:
2-Pyrazoline, 3,4-dibenzoyl-5-phenyl- (8CI)
CAS Number:
17416-51-2
Molecular Formula:
C23H18N2O2
Molecular Weight:
354.4012
IUPAC Name:
(3-benzoyl-5-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-phenylmethanone
InChI:
InChI=1S/C23H18N2O2/c26-22(17-12-6-2-7-13-17)19-20(16-10-4-1-5-11-16)24-25-21(19)23(27)18-14-8-3-9-15-18/h1-15,19-20,24H
InChI Key:
QXKMCRAEMKBFGP-UHFFFAOYSA-N
SMILES:
O=C(C1C(NN=C1C(=O)c1ccccc1)c1ccccc1)c1ccccc1
NSC Number:
117224
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.137g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.409g/mol
Monoisotopic Mass:
354.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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