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89263-89-8 | Isoxazole, 3-(2-methoxyphenyl)-5-(4-methoxyphenyl)-
CAS No: 89263-89-8 Catalog No: AG0041YI MDL No:
Product Description
Catalog Number:
AG0041YI
Chemical Name:
Isoxazole, 3-(2-methoxyphenyl)-5-(4-methoxyphenyl)-
CAS Number:
89263-89-8
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
3-(2-methoxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole
InChI:
InChI=1S/C17H15NO3/c1-19-13-9-7-12(8-10-13)17-11-15(18-21-17)14-5-3-4-6-16(14)20-2/h3-11H,1-2H3
InChI Key:
BZHBDGBLLSDSLA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1onc(c1)c1ccccc1OC
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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