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139517-52-5 | 5(4H)-Oxazolone, 4-(diphenylmethylene)-2-phenyl-
CAS No: 139517-52-5 Catalog No: AG001B5W MDL No:
Product Description
Catalog Number:
AG001B5W
Chemical Name:
5(4H)-Oxazolone, 4-(diphenylmethylene)-2-phenyl-
CAS Number:
139517-52-5
Molecular Formula:
C22H15NO2
Molecular Weight:
325.3600
IUPAC Name:
4-benzhydrylidene-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C22H15NO2/c24-22-20(23-21(25-22)18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H
InChI Key:
COQIMBODYYLFFJ-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1=C(c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.11g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.367g/mol
Monoisotopic Mass:
325.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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