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AA00241

1000339-52-5 | 3-Fluoro-2-nitrobenzonitrile

Packsize Purity Availability Price Discounted Price    Quantity
100mg 95% In Stock US $65.00 $45.00 -   +
1g 97% In Stock US $71.00 $50.00 -   +
5g 97% In Stock US $169.00 $118.00 -   +
25g 97% In Stock US $506.00 $354.00 -   +
100g 97% In Stock US $1,265.00 $885.00 -   +

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Description
Catalog Number: AA00241
Chemical Name: 3-Fluoro-2-nitrobenzonitrile
CAS Number: 1000339-52-5
Molecular Formula: C7H3FN2O2
Molecular Weight: 166.1093
MDL Number: MFCD09864664
IUPAC Name: 3-fluoro-2-nitrobenzonitrile
InChl: InChI=1S/C7H3FN2O2/c8-6-3-1-2-5(4-9)7(6)10(11)12/h1-3H
InChl Key: QKPJBJJXAQKHSR-UHFFFAOYSA-N
SMILES: N#Cc1cccc(c1[N+](=O)[O-])F

 

Computed Properties
Complexity: 229  
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 166.018g/mol
Formal Charge: 0
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Molecular Weight: 166.111g/mol
Monoisotopic Mass: 166.018g/mol
Rotatable Bond Count: 0
Topological Polar Surface Area: 69.6A^2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.6  

 

 

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