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Home > Nitro Compounds > 138579-62-1
138579-62-1 | 5(4H)-Oxazolone, 4-[(5-nitro-2-furanyl)methylene]-2-phenyl-, (Z)- (9CI)
CAS No: 138579-62-1 Catalog No: AG0018RU MDL No:
Product Description
Catalog Number:
AG0018RU
Chemical Name:
5(4H)-Oxazolone, 4-[(5-nitro-2-furanyl)methylene]-2-phenyl-, (Z)- (9CI)
CAS Number:
138579-62-1
Molecular Formula:
C14H8N2O5
Molecular Weight:
284.2237
IUPAC Name:
4-[(5-nitrofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C14H8N2O5/c17-14-11(8-10-6-7-12(20-10)16(18)19)15-13(21-14)9-4-2-1-3-5-9/h1-8H
InChI Key:
WCBGXIFIOVRXGJ-UHFFFAOYSA-N
SMILES:
O=C1OC(=N/C/1=C\c1ccc(o1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.043g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.227g/mol
Monoisotopic Mass:
284.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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