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Home > Nitro Compounds > 89684-46-8
89684-46-8 | 4H-1,3,4-Oxadiazine, 2-(4-nitrophenyl)-6-phenyl-
CAS No: 89684-46-8 Catalog No: AG0042XU MDL No:
Product Description
Catalog Number:
AG0042XU
Chemical Name:
4H-1,3,4-Oxadiazine, 2-(4-nitrophenyl)-6-phenyl-
CAS Number:
89684-46-8
Molecular Formula:
C15H11N3O3
Molecular Weight:
281.2661
IUPAC Name:
2-(4-nitrophenyl)-6-phenyl-4H-1,3,4-oxadiazine
InChI:
InChI=1S/C15H11N3O3/c19-18(20)13-8-6-12(7-9-13)15-17-16-10-14(21-15)11-4-2-1-3-5-11/h1-10,16H
InChI Key:
ZTXHHJOJALWZAJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1=NNC=C(O1)c1ccccc1
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.271g/mol
Monoisotopic Mass:
281.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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