Home Fluorides 194344-28-0
194344-28-0,MFCD15143451
Catalog No.:AA003IAX
194344-28-0 | 3,3'-Dinitro-5,5'-bis(trifluoromethyl)biphenyl
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Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$86.00   $60.00
- +
5g
98%
in stock  
$258.00   $180.00
- +
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Technical Information
Catalog Number:
AA003IAX
Chemical Name:
3,3'-Dinitro-5,5'-bis(trifluoromethyl)biphenyl
CAS Number:
194344-28-0
Molecular Formula:
C14H6F6N2O4
Molecular Weight:
380.1989
MDL Number:
MFCD15143451
IUPAC Name:
1-nitro-3-[3-nitro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C14H6F6N2O4/c15-13(16,17)9-1-7(3-11(5-9)21(23)24)8-2-10(14(18,19)20)6-12(4-8)22(25)26/h1-6H
InChI Key:
NHEDTONHCGHJCX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
494  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.023g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.202g/mol
Monoisotopic Mass:
380.023g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  

Synonyms
 
194344-28-0 
3,3'-Dinitro-5,5'-bis(trifluoromethyl)-1,1'-biphenyl 
AJ-114904 
AX8228958 
ST2404561 
TR-036040 
V4077 
B-7654 
I14-24558 
1,1'-Biphenyl, 3,3'-dinitro-5,5'-bis(trifluoromethyl)- 
C14H6F6N2O4 
3,3-Dinitro-5,5-bis(trifluoromethyl)biphenyl 
3,3'-DINITRO-5,5'-BIS(TRIFLUOROMETHYL)BIPHENYL 
ACMC-209url 
CTK0A0896 
DTXSID70681486 
ANW-44143 
MFCD15143451 
ZINC65336856 
AKOS015833399 
Literature
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