4-Isoxazolesulfonyl chloride, 5-methyl-


Chemical Name: 4-Isoxazolesulfonyl chloride, 5-methyl-
CAS Number: 321309-26-6
Product Number: AG00BZI6(AGN-PC-0KKXBD)
Synonyms:
MDL No:
Molecular Formula: C4H4ClNO3S
Molecular Weight: 181.5975

Identification/Properties


Properties
BP:
301.674 °C at 760 mmHg
Storage:
2-8℃;Inert atmosphere;
Form:
Solid
Computed Properties
Molecular Weight:
181.59g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
180.96g/mol
Monoisotopic Mass:
180.96g/mol
Topological Polar Surface Area:
68.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
209
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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