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187863-42-9

187863-42-9 | Pyridinium, 1-butyl-, salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1)

CAS No: 187863-42-9 Catalog No: AG002GJ4 MDL No:MFCD16038143

Product Description

Catalog Number:
AG002GJ4
Chemical Name:
Pyridinium, 1-butyl-, salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1)
CAS Number:
187863-42-9
MDL Number:
MFCD16038143
IUPAC Name:
bis(trifluoromethylsulfonyl)azanide;1-butylpyridin-1-ium
InChI:
InChI=1S/C9H14N.C2F6NO4S2/c1-2-3-7-10-8-5-4-6-9-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-6,8-9H,2-3,7H2,1H3;/q+1;-1
InChI Key:
XHIHMDHAPXMAQK-UHFFFAOYSA-N

Properties

Complexity:
449  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.03g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.353g/mol
Monoisotopic Mass:
416.03g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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