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955997-42-9 | N-(3,5-Bis-trifluoromethylphenyl) bis-trifluoro methane sulfonimide
CAS No: 955997-42-9 Catalog No: AG01F5GG MDL No:MFCD18379787
Product Description
Catalog Number:
AG01F5GG
Chemical Name:
N-(3,5-Bis-trifluoromethylphenyl) bis-trifluoro methane sulfonimide
CAS Number:
955997-42-9
Molecular Formula:
C10H3F12NO4S2
Molecular Weight:
493.2460
MDL Number:
MFCD18379787
IUPAC Name:
N-[3,5-bis(trifluoromethyl)phenyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
InChI:
InChI=1S/C10H3F12NO4S2/c11-7(12,13)4-1-5(8(14,15)16)3-6(2-4)23(28(24,25)9(17,18)19)29(26,27)10(20,21)22/h1-3H
InChI Key:
PMOOZXOOCVDNJB-UHFFFAOYSA-N
SMILES:
FC(c1cc(cc(c1)C(F)(F)F)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)(F)F
Properties
Complexity:
731
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.931g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
493.238g/mol
Monoisotopic Mass:
492.931g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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