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191043-82-0 | N-(4-Bromophenyl) bis-trifluoromethane sulfonimide
CAS No: 191043-82-0 Catalog No: AG01F946 MDL No:MFCD18379791
Product Description
Catalog Number:
AG01F946
Chemical Name:
N-(4-Bromophenyl) bis-trifluoromethane sulfonimide
CAS Number:
191043-82-0
Molecular Formula:
C8H4BrF6NO4S2
Molecular Weight:
436.1461
MDL Number:
MFCD18379791
IUPAC Name:
N-(4-bromophenyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
InChI:
InChI=1S/C8H4BrF6NO4S2/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:
CDBVDEJPHAYIMV-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)N(S(=O)(=O)C(F)(F)F)c1ccc(cc1)Br)(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:
434.867g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.137g/mol
Monoisotopic Mass:
434.867g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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