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AA00281

1000339-93-4 | 4-Fluoro-2-(hydroxymethyl)benzonitrile

Packsize Purity Availability Price Discounted Price    Quantity
1g 98% In Stock US $83.00 $58.00 -   +
5g 98% In Stock US $250.00 $175.00 -   +
25g 98% In Stock US $1,000.00 $700.00 -   +

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Description
Catalog Number: AA00281
Chemical Name: 4-Fluoro-2-(hydroxymethyl)benzonitrile
CAS Number: 1000339-93-4
Molecular Formula: C8H6FNO
Molecular Weight: 151.1377
MDL Number: MFCD09864693
IUPAC Name: 4-fluoro-2-(hydroxymethyl)benzonitrile
InChl: InChI=1S/C8H6FNO/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,11H,5H2
InChl Key: NJSSPVGHLXWQFD-UHFFFAOYSA-N
SMILES: OCc1cc(F)ccc1C#N

 

Computed Properties
Complexity: 174  
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 151.043g/mol
Formal Charge: 0
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0
Molecular Weight: 151.14g/mol
Monoisotopic Mass: 151.043g/mol
Rotatable Bond Count: 1  
Topological Polar Surface Area: 44A^2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.9  

 

 

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