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105959-35-1 | 5(4H)-Oxazolone, 4-[(4-azidophenyl)methylene]-2-phenyl-
CAS No: 105959-35-1 Catalog No: AG007EJR MDL No:
Product Description
Catalog Number:
AG007EJR
Chemical Name:
5(4H)-Oxazolone, 4-[(4-azidophenyl)methylene]-2-phenyl-
CAS Number:
105959-35-1
Molecular Formula:
C16H10N4O2
Molecular Weight:
290.2762
IUPAC Name:
4-[(4-azidophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C16H10N4O2/c17-20-19-13-8-6-11(7-9-13)10-14-16(21)22-15(18-14)12-4-2-1-3-5-12/h1-10H
InChI Key:
LQWKBMHCWQVOMP-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(cc1)C=C1N=C(OC1=O)c1ccccc1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.282g/mol
Monoisotopic Mass:
290.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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