Home Sulfos pentafluorophenyl 1,3-thiazole-2-sulfonate

pentafluorophenyl 1,3-thiazole-2-sulfonate

CAS No.:
1421601-80-0
Catalog Number:
AG019Z2T
Molecular Formula:
C9H2F5NO3S2
Molecular Weight:
331.2391
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Product Description
Catalog Number:
AG019Z2T
Chemical Name:
pentafluorophenyl 1,3-thiazole-2-sulfonate
CAS Number:
1421601-80-0
Molecular Formula:
C9H2F5NO3S2
Molecular Weight:
331.2391
MDL Number:
MFCD22391918
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) 1,3-thiazole-2-sulfonate
InChI:
InChI=1S/C9H2F5NO3S2/c10-3-4(11)6(13)8(7(14)5(3)12)18-20(16,17)9-15-1-2-19-9/h1-2H
InChI Key:
VOFZDXGJLWXINF-UHFFFAOYSA-N
SMILES:
Fc1c(OS(=O)(=O)c2nccs2)c(F)c(c(c1F)F)F
Properties
Complexity:
431  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.94g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.231g/mol
Monoisotopic Mass:
330.94g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties