Home Fluorides 869299-63-8
869299-63-8,MFCD19441199
Catalog No.:AA003JBQ
869299-63-8 | 3-Ethyl-4-fluorobenzonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$73.00   $51.00
- +
5g
95%
in stock  
$355.00   $248.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA003JBQ
Chemical Name:
3-Ethyl-4-fluorobenzonitrile
CAS Number:
869299-63-8
Molecular Formula:
C9H8FN
Molecular Weight:
149.1649
MDL Number:
MFCD19441199
IUPAC Name:
3-ethyl-4-fluorobenzonitrile
InChI:
InChI=1S/C9H8FN/c1-2-8-5-7(6-11)3-4-9(8)10/h3-5H,2H2,1H3
InChI Key:
RFLBKVBNVUDWDP-UHFFFAOYSA-N
SMILES:
CCc1cc(C#N)ccc1F
Properties
Computed Properties
 
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.064g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.168g/mol
Monoisotopic Mass:
149.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
3-Ethyl-4-fluorobenzonitrile 
869299-63-8 
CM13065 
TRA0100526 
AK136280 
AS-11024 
SY025757 
AJ-127944 
CS-0069515 
FT-0734165 
ST24042138 
MFCD19441199 (95%) 
SCHEMBL2693282 
C9H8FN 
KS-00000EJQ 
DTXSID10727650 
RFLBKVBNVUDWDP-UHFFFAOYSA-N 
MFCD19441199 
ZINC87489307 
AKOS022171910 
AS05847 
Literature
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