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28687-81-2 | 5(4H)-Oxazolone, 2,4-diphenyl-
CAS No: 28687-81-2 Catalog No: AG002W3A MDL No:
Product Description
Catalog Number:
AG002W3A
Chemical Name:
5(4H)-Oxazolone, 2,4-diphenyl-
CAS Number:
28687-81-2
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
IUPAC Name:
2,4-diphenyl-4H-1,3-oxazol-5-one
InChI:
InChI=1S/C15H11NO2/c17-15-13(11-7-3-1-4-8-11)16-14(18-15)12-9-5-2-6-10-12/h1-10,13H
InChI Key:
IEJPPSMHUUQABK-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1c1ccccc1)c1ccccc1
NSC Number:
10171
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.258g/mol
Monoisotopic Mass:
237.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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