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20821-95-8 | Isoxazole, 4,5-dihydro-5-(4-methylphenyl)-3-phenyl-
CAS No: 20821-95-8 Catalog No: AG002JL2 MDL No:
Product Description
Catalog Number:
AG002JL2
Chemical Name:
Isoxazole, 4,5-dihydro-5-(4-methylphenyl)-3-phenyl-
CAS Number:
20821-95-8
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
IUPAC Name:
5-(4-methylphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C16H15NO/c1-12-7-9-14(10-8-12)16-11-15(17-18-16)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3
InChI Key:
BRGWIFDBLRDAAA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1ON=C(C1)c1ccccc1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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