Home Bromides 951884-84-7
951884-84-7,MFCD09801006
Catalog No.:AA003J1T
951884-84-7 | N-(Furan-2-ylmethyl) 3-bromo-5-trifluoromethylbenzenesulfonamide
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$661.00   $463.00
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Technical Information
Catalog Number:
AA003J1T
Chemical Name:
N-(Furan-2-ylmethyl) 3-bromo-5-trifluoromethylbenzenesulfonamide
CAS Number:
951884-84-7
Molecular Formula:
C12H9BrF3NO3S
Molecular Weight:
384.1690
MDL Number:
MFCD09801006
IUPAC Name:
3-bromo-N-(furan-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
InChI:
InChI=1S/C12H9BrF3NO3S/c13-9-4-8(12(14,15)16)5-11(6-9)21(18,19)17-7-10-2-1-3-20-10/h1-6,17H,7H2
InChI Key:
HRTRAIORACJKEV-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)C(F)(F)F)S(=O)(=O)NCc1ccco1
Properties
Computed Properties
 
Complexity:
452  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.944g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
384.167g/mol
Monoisotopic Mass:
382.944g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
951884-84-7 
3-Bromo-N-(furan-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide 
PC8105 
ZINC16159720 
AKOS015834154 
RTR-029724 
AJ-68749 
AX8230488 
TR-029724 
ST24022786 
V9562 
B-4576 
N-(Furan-2-ylmethyl) 3-bromo-5-trifluoromethylbenzenesulfonamide 
I01-10997 
N-(Furan-2-ylmethyl)3-bromo-5-trifluoromethylbenzenesulfonamide 
3-Bromo-N-(fur-2-ylmethyl)-5-(trifluoromethyl)benzenesulphonamide 
3-Bromo-N-[(furan-2-yl)methyl]-5-(trifluoromethyl)benzene-1-sulfonamide 
C12H9BrF3NO3S 
3-Bromo-N- -5- benzenesulfonamide 
3-Bromo-5-[N-(fur-2-ylmethyl)sulphamoyl]benzotrifluoride 
ACMC-209rwx 
CTK5H7502 
DTXSID10650515 
ZX-AP009270 
ANW-40447 
MFCD09801006 
Literature
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