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89013-34-3 | Isoxazole, 4-[(2-methylphenyl)azo]-3,5-diphenyl-
CAS No: 89013-34-3 Catalog No: AG0042UM MDL No:
Product Description
Catalog Number:
AG0042UM
Chemical Name:
Isoxazole, 4-[(2-methylphenyl)azo]-3,5-diphenyl-
CAS Number:
89013-34-3
Molecular Formula:
C22H17N3O
Molecular Weight:
339.3899
IUPAC Name:
(3,5-diphenyl-1,2-oxazol-4-yl)-(2-methylphenyl)diazene
InChI:
InChI=1S/C22H17N3O/c1-16-10-8-9-15-19(16)23-24-21-20(17-11-4-2-5-12-17)25-26-22(21)18-13-6-3-7-14-18/h2-15H,1H3
InChI Key:
MTMOTXOWPGMIGY-UHFFFAOYSA-N
SMILES:
Cc1ccccc1N=Nc1c(onc1c1ccccc1)c1ccccc1
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.137g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.398g/mol
Monoisotopic Mass:
339.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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