3-bromo-1-hydroxy-2,2,5,5-tetramethyl-4-(methylsulfonylsulfanylmethyl)pyrrole


Chemical Name: 3-bromo-1-hydroxy-2,2,5,5-tetramethyl-4-(methylsulfonylsulfanylmethyl)pyrrole
CAS Number: 215956-55-1
Product Number: AG0070JJ(AGN-PC-00OZ0G)
Synonyms:
MDL No:
Molecular Formula: C10H18BrNO3S2
Molecular Weight: 344.2888

Identification/Properties


Computed Properties
Molecular Weight:
344.282g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
342.991g/mol
Monoisotopic Mass:
342.991g/mol
Topological Polar Surface Area:
91.3A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
449
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


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