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72990-86-4 | Isoxazole, 4-[(3-methylphenyl)azo]-3,5-diphenyl-
CAS No: 72990-86-4 Catalog No: AG008QT2 MDL No:
Product Description
Catalog Number:
AG008QT2
Chemical Name:
Isoxazole, 4-[(3-methylphenyl)azo]-3,5-diphenyl-
CAS Number:
72990-86-4
Molecular Formula:
C22H17N3O
Molecular Weight:
339.3899
IUPAC Name:
(3,5-diphenyl-1,2-oxazol-4-yl)-(3-methylphenyl)diazene
InChI:
InChI=1S/C22H17N3O/c1-16-9-8-14-19(15-16)23-24-21-20(17-10-4-2-5-11-17)25-26-22(21)18-12-6-3-7-13-18/h2-15H,1H3
InChI Key:
YEOLMFMIQWBAGR-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)N=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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