Home Fluorides 22227-26-5
22227-26-5,MFCD00015511
Catalog No.:AA003IH2
22227-26-5 | 3,5-Bis(trifluoromethyl)benzamide
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1g
99%(GC)
in stock  
$48.00   $33.00
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5g
99%(GC)
in stock  
$107.00   $75.00
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25g
99%(GC)
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$314.00   $220.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IH2
Chemical Name:
3,5-Bis(trifluoromethyl)benzamide
CAS Number:
22227-26-5
Molecular Formula:
C9H5F6NO
Molecular Weight:
257.1325
MDL Number:
MFCD00015511
IUPAC Name:
3,5-bis(trifluoromethyl)benzamide
InChI:
InChI=1S/C9H5F6NO/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H2,16,17)
InChI Key:
YNOPIKHMZIOWHS-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
EC Number:
244-849-7
Properties
Computed Properties
 
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.028g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.135g/mol
Monoisotopic Mass:
257.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
3,5-Bis(trifluoromethyl)benzamide 
22227-26-5 
SCHEMBL627995 
SCHEMBL8259365 
CTK4E8933 
YNOPIKHMZIOWHS-UHFFFAOYSA- 
DTXSID80176772 
3,5-bis-trifluoromethyl-benzamide 
ZINC152628 
3,5-bis-(trifluoromethyl)benzamide 
JRD-0399 
KS-00000BA8 
3,5-di(Trifluoromethyl)benzamide 
7607AD 
ANW-24779 
Benzamide,3,5-bis(trifluoromethyl)- 
CB-235 
FC0953 
SBB101835 
AKOS015852681 
MCULE-9403304758 
TRA0056259 
3,5-Bis(trifluoromethyl)benzamide, 97% 
3,5-Bis(trifluoromethyl)-benzamide 
AC-13883 
AJ-12765 
AK153085 
PS-11093 
SY030179 
ZB005209 
DB-021990 
TR-010472 
FT-0614450 
ST50826783 
Benzamide, 3,5-bis(trifluoromethyl)- 
MFCD00015511 (97%) 
C-4888 
A816028 
3S211027 
I01-7699 
J-014593 
InChI=1/C9H5F6NO/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H2,16,17) 
C9H5F6NO 
C9-H5-F6-N-O 
CID519927 
YNOPIKHMZIOWHS-UHFFFAOYSA-N 
ZINC00152628 
B1882 
MFCD00015511 
EINECS 244-849-7 
AC1LATCH 
ACMC-1CGLB 
Literature

Title: Design and synthesis of 3,5-disubstituted benzamide analogues of DNK333 as dual NK1/NK2 receptor probes.

Journal: Bioorganic & medicinal chemistry letters 20070215

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