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89249-65-0 | Isoxazole, 3-(diphenylmethyl)-4,5-dihydro-5-(4-methoxyphenoxy)-
CAS No: 89249-65-0 Catalog No: AG0042GI MDL No:
Product Description
Catalog Number:
AG0042GI
Chemical Name:
Isoxazole, 3-(diphenylmethyl)-4,5-dihydro-5-(4-methoxyphenoxy)-
CAS Number:
89249-65-0
Molecular Formula:
C23H21NO3
Molecular Weight:
359.4177
IUPAC Name:
3-benzhydryl-5-(4-methoxyphenoxy)-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C23H21NO3/c1-25-19-12-14-20(15-13-19)26-22-16-21(24-27-22)23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,22-23H,16H2,1H3
InChI Key:
WLWMOOMOMZLAJS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OC1ON=C(C1)C(c1ccccc1)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:
359.152g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.425g/mol
Monoisotopic Mass:
359.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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