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52331-18-7 | N-(4-Methoxyphenyl) bis-trifluoromethane sulfonimide
CAS No: 52331-18-7 Catalog No: AG01F8M6 MDL No:MFCD00856968
Product Description
Catalog Number:
AG01F8M6
Chemical Name:
N-(4-Methoxyphenyl) bis-trifluoromethane sulfonimide
CAS Number:
52331-18-7
Molecular Formula:
C9H7F6NO5S2
Molecular Weight:
387.2760
MDL Number:
MFCD00856968
IUPAC Name:
1,1,1-trifluoro-N-(4-methoxyphenyl)-N-(trifluoromethylsulfonyl)methanesulfonamide
InChI:
InChI=1S/C9H7F6NO5S2/c1-21-7-4-2-6(3-5-7)16(22(17,18)8(10,11)12)23(19,20)9(13,14)15/h2-5H,1H3
InChI Key:
HQVTYXJWLAQEET-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.967g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.267g/mol
Monoisotopic Mass:
386.967g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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