Home Sulfos 3-Methylisoxazol-5-Yl Trifluoromethanesulfonate

3-Methylisoxazol-5-Yl Trifluoromethanesulfonate

CAS No.:
1363210-15-4
Catalog Number:
AG00HUI7
Molecular Formula:
C5H4F3NO4S
Molecular Weight:
231.1498
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Product Description
Catalog Number:
AG00HUI7
Chemical Name:
3-Methylisoxazol-5-Yl Trifluoromethanesulfonate
CAS Number:
1363210-15-4
Molecular Formula:
C5H4F3NO4S
Molecular Weight:
231.1498
MDL Number:
MFCD23378510
IUPAC Name:
(3-methyl-1,2-oxazol-5-yl) trifluoromethanesulfonate
InChI:
InChI=1S/C5H4F3NO4S/c1-3-2-4(12-9-3)13-14(10,11)5(6,7)8/h2H,1H3
InChI Key:
DPAKBTVUDKNQAG-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)Oc1onc(c1)C)(F)F
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.981g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.145g/mol
Monoisotopic Mass:
230.981g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties