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74718-18-6 | 5-PHENYL-2-(4-PYRIDYL)OXAZOLE METHYL
CAS No: 74718-18-6 Catalog No: AG00FX2H MDL No:
Product Description
Catalog Number:
AG00FX2H
Chemical Name:
5-PHENYL-2-(4-PYRIDYL)OXAZOLE METHYL
CAS Number:
74718-18-6
IUPAC Name:
4-methylbenzenesulfonate;2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole
InChI:
InChI=1S/C15H13N2O.C7H8O3S/c1-17-9-7-13(8-10-17)15-16-11-14(18-15)12-5-3-2-4-6-12;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
PIXCCZOFOOEFLW-UHFFFAOYSA-M
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.114g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.472g/mol
Monoisotopic Mass:
408.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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