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164411-06-7 | Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N-phenylbenzenamine (1:1)
CAS No: 164411-06-7 Catalog No: AG001UVH MDL No:
Product Description
Catalog Number:
AG001UVH
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N-phenylbenzenamine (1:1)
CAS Number:
164411-06-7
Molecular Formula:
C13H12F3NO3S
Molecular Weight:
319.2995
IUPAC Name:
diphenylazanium;trifluoromethanesulfonate
InChI:
InChI=1S/C12H11N.CHF3O3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3,4)8(5,6)7/h1-10,13H;(H,5,6,7)
InChI Key:
MGEGQAUINMTPGX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Nc1ccccc1.FC(S(=O)(=O)O)(F)F
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.049g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.298g/mol
Monoisotopic Mass:
319.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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