methanesulfonic acid;7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one


Chemical Name: methanesulfonic acid;7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CAS Number: 350992-13-1
Product Number: AG00C9KP(AGN-PC-0LVEZ7)
Synonyms:
MDL No:
Molecular Formula: C25H27N3O5S
Molecular Weight: 481.5640

Identification/Properties


Properties
MP:
>252ºC (dec.)
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
481.567g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
4
Exact Mass:
481.167g/mol
Monoisotopic Mass:
481.167g/mol
Topological Polar Surface Area:
108A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
649
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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