Home Sulfos 6-trifluoromethanesulfonyl-1H-1,3-benzodiazol-1-ol

6-trifluoromethanesulfonyl-1H-1,3-benzodiazol-1-ol

CAS No.:
730992-59-3
Catalog Number:
AG019IIK
Molecular Formula:
C8H5F3N2O3S
Molecular Weight:
266.1971
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Product Description
Catalog Number:
AG019IIK
Chemical Name:
6-trifluoromethanesulfonyl-1H-1,3-benzodiazol-1-ol
CAS Number:
730992-59-3
Molecular Formula:
C8H5F3N2O3S
Molecular Weight:
266.1971
MDL Number:
MFCD04624253
IUPAC Name:
1-hydroxy-6-(trifluoromethylsulfonyl)benzimidazole
InChI:
InChI=1S/C8H5F3N2O3S/c9-8(10,11)17(15,16)5-1-2-6-7(3-5)13(14)4-12-6/h1-4,14H
InChI Key:
LORIRSIQDSQHTC-UHFFFAOYSA-N
SMILES:
On1cnc2c1cc(cc2)S(=O)(=O)C(F)(F)F
Properties
Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.997g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
266.194g/mol
Monoisotopic Mass:
265.997g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties