Home Fluorides 1003708-58-4
1003708-58-4,MFCD09835205
Catalog No.:AA0001O8
1003708-58-4 | Benzonitrile, 2-nitro-5-(trifluoromethoxy)-
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1g
95%
in stock  
$80.00
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5g
95%
in stock  
$267.00
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10g
95%
in stock  
$467.00
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25g
95%
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$934.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0001O8
Chemical Name:
Benzonitrile, 2-nitro-5-(trifluoromethoxy)-
CAS Number:
1003708-58-4
Molecular Formula:
C8H3F3N2O3
Molecular Weight:
232.1162
MDL Number:
MFCD09835205
IUPAC Name:
2-nitro-5-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H3F3N2O3/c9-8(10,11)16-6-1-2-7(13(14)15)5(3-6)4-12/h1-3H
InChI Key:
STFMZRHACYMUGG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1[N+](=O)[O-])OC(F)(F)F
Properties
Computed Properties
 
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.01g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.118g/mol
Monoisotopic Mass:
232.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
2-NITRO-5-(TRIFLUOROMETHOXY)BENZONITRILE 
1003708-58-4 
AKOS016009656 
AS01706 
AJ-101348 
AX8161266 
DB-058359 
TC-103007 
Benzonitrile, 2-nitro-5-(trifluoromethoxy)- 
CS-0084341 
FT-0691817 
B-6217 
PubChem4820 
C8H3F3N2O3 
ACMC-2097pk 
CTK7C7171 
DTXSID90662777 
0169AA 
ANW-14262 
MFCD09835205 
ZINC39953636 
Literature
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