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89013-39-8 | Isoxazole, 4-[(2,4-dimethylphenyl)azo]-3,5-diphenyl-
CAS No: 89013-39-8 Catalog No: AG0044DV MDL No:
Product Description
Catalog Number:
AG0044DV
Chemical Name:
Isoxazole, 4-[(2,4-dimethylphenyl)azo]-3,5-diphenyl-
CAS Number:
89013-39-8
Molecular Formula:
C23H19N3O
Molecular Weight:
353.4165
IUPAC Name:
(2,4-dimethylphenyl)-(3,5-diphenyl-1,2-oxazol-4-yl)diazene
InChI:
InChI=1S/C23H19N3O/c1-16-13-14-20(17(2)15-16)24-25-22-21(18-9-5-3-6-10-18)26-27-23(22)19-11-7-4-8-12-19/h3-15H,1-2H3
InChI Key:
FZEAFOZGQNAKMN-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)N=Nc1c(onc1c1ccccc1)c1ccccc1
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.153g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.425g/mol
Monoisotopic Mass:
353.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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