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Home > Nitro Compounds > 69015-77-6
69015-77-6 | 5(4H)-Oxazolone, 4-[1-(3-nitrophenyl)ethylidene]-2-phenyl-, (Z)-
CAS No: 69015-77-6 Catalog No: AG005M63 MDL No:
Product Description
Catalog Number:
AG005M63
Chemical Name:
5(4H)-Oxazolone, 4-[1-(3-nitrophenyl)ethylidene]-2-phenyl-, (Z)-
CAS Number:
69015-77-6
Molecular Formula:
C17H12N2O4
Molecular Weight:
308.2882
IUPAC Name:
4-[1-(3-nitrophenyl)ethylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C17H12N2O4/c1-11(13-8-5-9-14(10-13)19(21)22)15-17(20)23-16(18-15)12-6-3-2-4-7-12/h2-10H,1H3
InChI Key:
LRDFGGPMUHWOLP-UHFFFAOYSA-N
SMILES:
O=C1OC(=N/C/1=C(\c1cccc(c1)[N+](=O)[O-])/C)c1ccccc1
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.08g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.293g/mol
Monoisotopic Mass:
308.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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