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Home Sulfos 4-Chloro-N,N-bis(trifluoromethanesulfonyl)aniline

4-Chloro-N,N-bis(trifluoromethanesulfonyl)aniline

CAS No.:
950578-84-4
Catalog Number:
AG01EZL3
Molecular Formula:
C8H4ClF6NO4S2
Molecular Weight:
391.6951
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$139
- +
5g
1 week
United States
$341
- +
Product Description
Catalog Number:
AG01EZL3
Chemical Name:
4-Chloro-N,N-bis(trifluoromethanesulfonyl)aniline
CAS Number:
950578-84-4
Molecular Formula:
C8H4ClF6NO4S2
Molecular Weight:
391.6951
MDL Number:
MFCD18379784
IUPAC Name:
N-(4-chlorophenyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
InChI:
InChI=1S/C8H4ClF6NO4S2/c9-5-1-3-6(4-2-5)16(21(17,18)7(10,11)12)22(19,20)8(13,14)15/h1-4H
InChI Key:
XXVDFSLIEDFCCG-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)N(S(=O)(=O)C(F)(F)F)c1ccc(cc1)Cl)(F)F
Properties
Complexity:
551  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.917g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.683g/mol
Monoisotopic Mass:
390.917g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
N-(4-Chloro-phen-yl)-1,1,1-trifluoro-N-(trifluoro-methyl-sulfon-yl)methane-sulfonamide. Acta crystallographica. Section E, Structure reports online 20100301
Properties