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89263-88-7 | Isoxazole, 3-(2-methoxyphenyl)-5-phenyl-
CAS No: 89263-88-7 Catalog No: AG0041GQ MDL No:
Product Description
Catalog Number:
AG0041GQ
Chemical Name:
Isoxazole, 3-(2-methoxyphenyl)-5-phenyl-
CAS Number:
89263-88-7
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole
InChI:
InChI=1S/C16H13NO2/c1-18-15-10-6-5-9-13(15)14-11-16(19-17-14)12-7-3-2-4-8-12/h2-11H,1H3
InChI Key:
LWPRHPLLVSJQFN-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1noc(c1)c1ccccc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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