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52331-16-5 | N-(4-Methylphenyl) bis-trifluoromethane sulfonimide
CAS No: 52331-16-5 Catalog No: AG01F8VZ MDL No:MFCD18379792
Product Description
Catalog Number:
AG01F8VZ
Chemical Name:
N-(4-Methylphenyl) bis-trifluoromethane sulfonimide
CAS Number:
52331-16-5
Molecular Formula:
C9H7F6NO4S2
Molecular Weight:
371.2766
MDL Number:
MFCD18379792
IUPAC Name:
1,1,1-trifluoro-N-(4-methylphenyl)-N-(trifluoromethylsulfonyl)methanesulfonamide
InChI:
InChI=1S/C9H7F6NO4S2/c1-6-2-4-7(5-3-6)16(21(17,18)8(10,11)12)22(19,20)9(13,14)15/h2-5H,1H3
InChI Key:
KCNCHSQFLMLRSZ-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)N(S(=O)(=O)C(F)(F)F)c1ccc(cc1)C)(F)F
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.972g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.268g/mol
Monoisotopic Mass:
370.972g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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