Home Fluorides 1000339-93-4
1000339-93-4,MFCD09864693
Catalog No.:AA0000AL
Benzonitrile, 4-fluoro-2-(hydroxymethyl)- | 1000339-93-4
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$58.00
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5g
98%
in stock  
$195.00
- +
  • Technical Information
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  • Technical Information
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  • Literature
Technical Information
Catalog Number:
AA0000AL
Chemical Name:
Benzonitrile, 4-fluoro-2-(hydroxymethyl)-
CAS Number:
1000339-93-4
Molecular Formula:
C8H6FNO
Molecular Weight:
151.1377
MDL Number:
MFCD09864693
IUPAC Name:
4-fluoro-2-(hydroxymethyl)benzonitrile
InChI:
InChI=1S/C8H6FNO/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,11H,5H2
InChI Key:
NJSSPVGHLXWQFD-UHFFFAOYSA-N
SMILES:
OCc1cc(F)ccc1C#N
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:
0.9  

Synonyms
 
4-Fluoro-2-(hydroxymethyl)benzonitrile 
1000339-93-4 
SBB086764 
ZINC16159656 
AKOS013153987 
CM13335 
PS-6890 
AC-28648 
AJ-68724 
Benzonitrile, 4-fluoro-2-(hydroxymethyl)- 
RT-017006 
ST24029088 
2-Cyano-5-fluorobenzyl alcohol 
V0283 
4-fluoro-2-(hydroxymethyl)benzenecarbonitrile 
K-0137 
C8H6FNO 
4-Fluoro-2-formylbenzonitrile 
894779-76-1 
4-Fluoro-2-hydroxymethylbenzonitrile 
C8H6NOF 
SCHEMBL16962135 
CTK8A2638 
DTXSID80650502 
KS-00003QX4 
MFCD09864693 
Literature
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