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Home > Nitro Compounds > 83959-66-4
83959-66-4 | Oxazole, 5-[1,1'-biphenyl]-4-yl-2-(4-nitrophenyl)-
CAS No: 83959-66-4 Catalog No: AG004R58 MDL No:
Product Description
Catalog Number:
AG004R58
Chemical Name:
Oxazole, 5-[1,1'-biphenyl]-4-yl-2-(4-nitrophenyl)-
CAS Number:
83959-66-4
Molecular Formula:
C21H14N2O3
Molecular Weight:
342.3475
IUPAC Name:
2-(4-nitrophenyl)-5-(4-phenylphenyl)-1,3-oxazole
InChI:
InChI=1S/C21H14N2O3/c24-23(25)19-12-10-18(11-13-19)21-22-14-20(26-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H
InChI Key:
YMEVJZARUJDPOO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1ncc(o1)c1ccc(cc1)c1ccccc1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.1g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.354g/mol
Monoisotopic Mass:
342.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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