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Home > Nitro Compounds > 15601-45-3
15601-45-3 | 5(4H)-Oxazolone, 4-[(3-nitrophenyl)methylene]-2-phenyl-
CAS No: 15601-45-3 Catalog No: AG001OGN MDL No:
Product Description
Catalog Number:
AG001OGN
Chemical Name:
5(4H)-Oxazolone, 4-[(3-nitrophenyl)methylene]-2-phenyl-
CAS Number:
15601-45-3
Molecular Formula:
C16H10N2O4
Molecular Weight:
294.2616
IUPAC Name:
4-[(3-nitrophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C16H10N2O4/c19-16-14(10-11-5-4-8-13(9-11)18(20)21)17-15(22-16)12-6-2-1-3-7-12/h1-10H
InChI Key:
DLKLBYNRYHZMMX-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1=Cc1cccc(c1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.064g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.266g/mol
Monoisotopic Mass:
294.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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