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89013-35-4 | Isoxazole, 4-[(2-methoxyphenyl)azo]-3,5-diphenyl-
CAS No: 89013-35-4 Catalog No: AG0042UL MDL No:
Product Description
Catalog Number:
AG0042UL
Chemical Name:
Isoxazole, 4-[(2-methoxyphenyl)azo]-3,5-diphenyl-
CAS Number:
89013-35-4
Molecular Formula:
C22H17N3O2
Molecular Weight:
355.3893
IUPAC Name:
(3,5-diphenyl-1,2-oxazol-4-yl)-(2-methoxyphenyl)diazene
InChI:
InChI=1S/C22H17N3O2/c1-26-19-15-9-8-14-18(19)23-24-21-20(16-10-4-2-5-11-16)25-27-22(21)17-12-6-3-7-13-17/h2-15H,1H3
InChI Key:
PZTSOQUOZCWAKX-UHFFFAOYSA-N
SMILES:
COc1ccccc1N=Nc1c(onc1c1ccccc1)c1ccccc1
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.397g/mol
Monoisotopic Mass:
355.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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