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294886-82-1 | Isoxazole, 2,3-dihydro-3,5-diphenyl-2-(phenylmethyl)-
CAS No: 294886-82-1 Catalog No: AG002YJI MDL No:
Product Description
Catalog Number:
AG002YJI
Chemical Name:
Isoxazole, 2,3-dihydro-3,5-diphenyl-2-(phenylmethyl)-
CAS Number:
294886-82-1
Molecular Formula:
C22H19NO
Molecular Weight:
313.3924
IUPAC Name:
2-benzyl-3,5-diphenyl-3H-1,2-oxazole
InChI:
InChI=1S/C22H19NO/c1-4-10-18(11-5-1)17-23-21(19-12-6-2-7-13-19)16-22(24-23)20-14-8-3-9-15-20/h1-16,21H,17H2
InChI Key:
CSGDQBGIQJNMPZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1OC(=CC1c1ccccc1)c1ccccc1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.4g/mol
Monoisotopic Mass:
313.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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