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89013-36-5 | Isoxazole, 4-[(4-methoxyphenyl)azo]-3,5-diphenyl-
CAS No: 89013-36-5 Catalog No: AG00438I MDL No:
Product Description
Catalog Number:
AG00438I
Chemical Name:
Isoxazole, 4-[(4-methoxyphenyl)azo]-3,5-diphenyl-
CAS Number:
89013-36-5
Molecular Formula:
C22H17N3O2
Molecular Weight:
355.3893
IUPAC Name:
(3,5-diphenyl-1,2-oxazol-4-yl)-(4-methoxyphenyl)diazene
InChI:
InChI=1S/C22H17N3O2/c1-26-19-14-12-18(13-15-19)23-24-21-20(16-8-4-2-5-9-16)25-27-22(21)17-10-6-3-7-11-17/h2-15H,1H3
InChI Key:
XCYOAYWAQLJCTG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N=Nc1c(onc1c1ccccc1)c1ccccc1
Properties
Complexity:
466
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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