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AA02068

1003708-58-4 | 2-Nitro-5-(trifluoromethoxy)benzonitrile

Packsize Purity Availability Price Discounted Price    Quantity
1g 95% In Stock US $114.00 $80.00 -   +
5g 95% In Stock US $343.00 $240.00 -   +
10g 95% In Stock US $600.00 $420.00 -   +
25g 95% In Stock US $1,200.00 $840.00 -   +

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Description
Catalog Number: AA02068
Chemical Name: 2-Nitro-5-(trifluoromethoxy)benzonitrile
CAS Number: 1003708-58-4
Molecular Formula: C8H3F3N2O3
Molecular Weight: 232.1162
MDL Number: MFCD09835205
IUPAC Name: 2-nitro-5-(trifluoromethoxy)benzonitrile
InChl: InChI=1S/C8H3F3N2O3/c9-8(10,11)16-6-1-2-7(13(14)15)5(3-6)4-12/h1-3H
InChl Key: STFMZRHACYMUGG-UHFFFAOYSA-N
SMILES: N#Cc1cc(ccc1[N+](=O)[O-])OC(F)(F)F

 

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  

 

 

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