Home Fluorides 1260764-63-3
1260764-63-3,MFCD12756617
Catalog No.:AA000R2T
1260764-63-3 | Benzonitrile, 3-fluoro-2-(hydroxymethyl)-
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250mg
95%
1 week  
$353.00
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1g
95%
1 week  
$822.00
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA000R2T
Chemical Name:
Benzonitrile, 3-fluoro-2-(hydroxymethyl)-
CAS Number:
1260764-63-3
Molecular Formula:
C8H6FNO
Molecular Weight:
151.1377
MDL Number:
MFCD12756617
IUPAC Name:
3-fluoro-2-(hydroxymethyl)benzonitrile
InChI:
InChI=1S/C8H6FNO/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3,11H,5H2
InChI Key:
KICPVYAMZBCNJN-UHFFFAOYSA-N
SMILES:
OCc1c(C#N)cccc1F
Properties
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:
0.7  

Synonyms
 
3-FLUORO-2-(HYDROXYMETHYL)BENZONITRILE 
1260764-63-3 
2-Cyano-6-fluorobenzyl alcohol 
MFCD12756617 
ZINC97758348 
AS-42791 
SC-87776 
Benzonitrile, 3-fluoro-2-(hydroxymethyl)- 
Literature
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