tert-butyl 3-(trifluoromethylsulfonyloxy)-2,5-dihydropyrrole-1-carboxylate


Chemical Name: tert-butyl 3-(trifluoromethylsulfonyloxy)-2,5-dihydropyrrole-1-carboxylate
CAS Number: 630121-86-7
Product Number: AG00EKKC(AGN-PC-0D1K4G)
Synonyms:
MDL No:
Molecular Formula: C10H14F3NO5S
Molecular Weight: 317.2821

Identification/Properties


Computed Properties
Molecular Weight:
317.279g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
4
Exact Mass:
317.054g/mol
Monoisotopic Mass:
317.054g/mol
Topological Polar Surface Area:
81.3A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
513
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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