Benzenesulfonyl chloride, 4-(5-methyl-3-phenyl-4-isoxazolyl)-


Chemical Name: Benzenesulfonyl chloride, 4-(5-methyl-3-phenyl-4-isoxazolyl)-
CAS Number: 509074-26-4
Product Number: AG00DE75(AGN-PC-0MV1TS)
Synonyms:
MDL No:
Molecular Formula: C16H12ClNO3S
Molecular Weight: 333.7894

Identification/Properties


Properties
MP:
108-109°C
BP:
440.6±45.0°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
333.786g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
333.023g/mol
Monoisotopic Mass:
333.023g/mol
Topological Polar Surface Area:
68.6A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
464
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:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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